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1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)- structure
Fine Chemical

1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)-

TL;DR: 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)- (CAS 113915-68-7) is a chemical compound with molecular formula C43H38Cl4N2O3 and molecular weight 770.16364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4,5,6,7-tetrachloro-3,3-bis[(Z)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)ethenyl]-2H-inden-1-one

Also Known As: 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)-, 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)ethenyl]-2H-inden-1-one

CAS Number
113915-68-7
Molecular Formula
C43H38Cl4N2O3
Molecular Weight
770.16364 g/mol
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Technical Specifications

Molecular FormulaC43H38Cl4N2O3
Molecular Weight770.16364 g/mol
XLogP12.5
Topological Polar Surface Area (TPSA)42.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds10
Exact Mass770.16364 Da
Heavy Atoms52
Complexity1180.0
SMILESCN(C1=CC=C(C=C1)/C(=C/C2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)C2)/C=C(\C4=CC=C(C=C4)OC)/C5=CC=C(C=C5)N(C)C)/C6=CC=C(C=C6)OC)C
InChIKeyHAIAEJWPQOBGFW-CNLMHZLKSA-N

Product Description

Applications: AC1O51VA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

A fine chemical supplied by CoreyChem, AC1O51VA (CAS 113915-68-7) has the molecular formula C43H38Cl4N2O3 and a molecular weight of 770.16 g/mol. Synonyms include 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)- and 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)ethenyl]-2H-inden-1-one.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)-

XLogP
12.5
TPSA (Topological Polar Surface Area)
42.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
10
Heavy Atoms
52
Complexity
1180.0
Exact Mass
770.16364
Monoisotopic Mass
770.16364
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)-

The XLogP value of 12.5 indicates that 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)-?

The CAS number of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)- is 113915-68-7.

What is the molecular formula of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)-?

The molecular formula of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)- is C43H38Cl4N2O3.

What is the molecular weight of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)-?

The molecular weight of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)- is 770.16364 g/mol.

What are the applications of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)-?

AC1O51VA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Where can I buy 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)-?

You can request a quote for 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)-?

Yes, CoreyChem provides custom synthesis services for 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-(4-(dimethylamino)phenyl)-2-(4-methoxyphenyl)ethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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