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RefChem:322665 structure
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RefChem:322665

TL;DR: RefChem:322665 (CAS 80785-09-7) is a chemical compound with molecular formula C28H37Cl2N3O2 and molecular weight 517.22626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[4-[(4-methoxyanilino)-phenylmethylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dichloride

Also Known As: Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(p-methoxyphenyl)-, dihydrochloride, N-(p-(2-(Diisopropylamino)ethoxy)phenyl)-N'-(p-methoxyphenyl)benzamidine dihydrochloride, 2-[4-[(4-methoxyanilino)-phenylmethylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dichloride

CAS Number
80785-09-7
Molecular Formula
C28H37Cl2N3O2
Molecular Weight
517.22626 g/mol
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Technical Specifications

Molecular FormulaC28H37Cl2N3O2
Molecular Weight517.22626 g/mol
XLogP-2.95
Topological Polar Surface Area (TPSA)48.9 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors4
Rotatable Bonds11
Exact Mass517.22626 Da
Heavy Atoms35
Complexity549.0
SMILESCC(C)[NH+](CCOC1=CC=C(C=C1)[NH+]=C(C2=CC=CC=C2)NC3=CC=C(C=C3)OC)C(C)C.[Cl-].[Cl-]
InChIKeySAPKLIKREWRSLO-UHFFFAOYSA-N

Chemical Property Profile of RefChem:322665

XLogP
-2.95
TPSA (Topological Polar Surface Area)
48.9
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
Rotatable Bonds
11
Heavy Atoms
35
Complexity
549.0
Exact Mass
517.22626
Monoisotopic Mass
517.22626
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:322665

The XLogP value of -2.95 indicates that RefChem:322665 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 48.9 Ų, RefChem:322665 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322665 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of RefChem:322665?

The CAS number of RefChem:322665 is 80785-09-7.

What is the molecular formula of RefChem:322665?

The molecular formula of RefChem:322665 is C28H37Cl2N3O2.

What is the molecular weight of RefChem:322665?

The molecular weight of RefChem:322665 is 517.22626 g/mol.

Where can I buy RefChem:322665?

You can request a quote for RefChem:322665 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:322665?

Yes, CoreyChem provides custom synthesis services for RefChem:322665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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