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RefChem:1089915 structure
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RefChem:1089915

TL;DR: RefChem:1089915 (CAS 106385-86-8) is a chemical compound with molecular formula C40H46I2N2O6 and molecular weight 904.14453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-[4-(7-hydroxy-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-3-yl)but-2-ynyl]-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol diiodide

Also Known As: N,N'-2-Butynylenebis(codeinium iodide), Morphinanium, 17,17'-(2-butynylene)bis(7,8-didehydro-4,5-alpha-epoxy-6-alpha-hydroxy-3-methoxy-17-methyl-, diiodide, 17,17'-(But-2-yne-1,4-diyl)bis(3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-17-ium-6-ol) diiodide

CAS Number
106385-86-8
Molecular Formula
C40H46I2N2O6
Molecular Weight
904.14453 g/mol
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Technical Specifications

Molecular FormulaC40H46I2N2O6
Molecular Weight904.14453 g/mol
XLogP-2.9432
Topological Polar Surface Area (TPSA)77.4 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors8
Rotatable Bonds4
Exact Mass904.14453 Da
Heavy Atoms50
Complexity1370.0
SMILESC[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O)CC#CC[N+]6(CCC78C9C6CC1=C7C(=C(C=C1)OC)OC8C(C=C9)O)C.[I-].[I-]
InChIKeyARTIESCUZMXOOT-UHFFFAOYSA-L

Product Description

Applications: RefChem:1089915 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).

RefChem:1089915 is a fine chemical identified by CAS number 106385-86-8 and the molecular formula C40H46I2N2O6 and a molecular weight of 904.14 g/mol. Synonyms include N,N'-2-Butynylenebis(codeinium iodide) and Morphinanium, 17,17'-(2-butynylene)bis(7,8-didehydro-4,5-alpha-epoxy-6-alpha-hydroxy-3-methoxy-17-methyl-, diiodide.

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 RefChem:1089915

XLogP
-2.9432
TPSA (Topological Polar Surface Area)
77.4
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
8
Rotatable Bonds
4
Heavy Atoms
50
Complexity
1370.0
Exact Mass
904.14453
Monoisotopic Mass
904.14453
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 RefChem:1089915

The XLogP value of -2.9432 indicates that RefChem:1089915 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1089915. Following Lipinski's Rule of Five, RefChem:1089915 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of RefChem:1089915?

The CAS number of RefChem:1089915 is 106385-86-8.

What is the molecular formula of RefChem:1089915?

The molecular formula of RefChem:1089915 is C40H46I2N2O6.

What is the molecular weight of RefChem:1089915?

The molecular weight of RefChem:1089915 is 904.14453 g/mol.

What are the applications of RefChem:1089915?

RefChem:1089915 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 RefChem:1089915?

You can request a quote for RefChem:1089915 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:1089915?

Yes, CoreyChem provides custom synthesis services for RefChem:1089915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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