EINECS 303-339-5
TL;DR: EINECS 303-339-5 (CAS 94166-42-4) is a chemical compound with molecular formula C35H24Cl2N2O8 and molecular weight 670.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[(2-chlorophenyl)-[4-(3,5-dicarboxyphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzene-1,3-dicarboxylic acid;hydrochloride
Also Known As: EINECS 303-339-5, 5-((4-((2-Chlorophenyl)(4-((3,5-dicarboxyphenyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)amino)isophthalic acid monohydrochloride, 5-[[4-[(2-Chlorophenyl)[4-[(3,5-Dicarboxyphenyl)Amino]Phenyl]Methylene]Cyclohexa-2,5-Dien-1-Ylidene], 5-[[4-[(2-Chlorophenyl)[4-[(3,5-dicarboxyphenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]isophthalic ac, 5-[[4-[(2-chlorophenyl)[4-[(3,5-dicarboxyphenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]isophthalic acid monohydrochloride
| Molecular Formula | C35H24Cl2N2O8 |
|---|---|
| Molecular Weight | 670.09 g/mol |
| LogP | 7.9988 |
| Topological Polar Surface Area | 173.59 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 670.09094 |
| Heavy Atoms | 47 |
| Complexity | 1964.505 |
Chemical Identifiers
| CAS Number | 94166-42-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=C2C=CC(=NC3=CC(=CC(=C3)C(=O)O)C(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC(=CC(=C5)C(=O)O)C(=O)O)Cl.Cl |
Product Overview
EINECS 303-339-5 (CAS 94166-42-4), with molecular formula C35H24Cl2N2O8 and molecular weight 670.09 g/mol. IUPAC: 5-[4-[(2-chlorophenyl)-[4-(3,5-dicarboxyphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzene-1,3-dicarboxylic acid;hydrochloride.
Chemical Property Profile of EINECS 303-339-5
Property Insights of EINECS 303-339-5
The XLogP value of 7.9988 indicates that EINECS 303-339-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.59 Ų indicates high polarity, suggesting EINECS 303-339-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 303-339-5 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 303-339-5?
The CAS number of EINECS 303-339-5 is 94166-42-4.
What is the molecular formula of EINECS 303-339-5?
The molecular formula of EINECS 303-339-5 is C35H24Cl2N2O8.
What is the molecular weight of EINECS 303-339-5?
The molecular weight of EINECS 303-339-5 is 670.09 g/mol.
Where can I buy EINECS 303-339-5?
You can request a quote for EINECS 303-339-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 303-339-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 303-339-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.