EINECS 301-536-0
TL;DR: EINECS 301-536-0 (CAS 94022-39-6) is a chemical compound with molecular formula C36H31N9O10S3 and molecular weight 845.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-oxo-6-[(4-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
Also Known As: EINECS 301-536-0, (6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-oxo-6-[(4-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid, 4-Amino-3-((4'-((2,4-diaminophenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-((4-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, 4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid
| Molecular Formula | C36H31N9O10S3 |
|---|---|
| Molecular Weight | 845.14 g/mol |
| LogP | 6.93434 |
| Topological Polar Surface Area | 332.07 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 845.1356 |
| Heavy Atoms | 58 |
| Complexity | 3020.7893 |
Chemical Identifiers
| CAS Number | 94022-39-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(/C(=N\NC5=CC=C(C=C5)S(=O)(=O)O)/C(=O)C4=C3N)S(=O)(=O)O)S(=O)(=O)O)C)N=NC6=C(C=C(C=C6)N)N |
Product Overview
EINECS 301-536-0 (CAS 94022-39-6), with molecular formula C36H31N9O10S3 and molecular weight 845.14 g/mol. IUPAC: (6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-oxo-6-[(4-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid.
Chemical Property Profile of EINECS 301-536-0
Property Insights of EINECS 301-536-0
The XLogP value of 6.93434 indicates that EINECS 301-536-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 332.07 Ų indicates high polarity, suggesting EINECS 301-536-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 301-536-0 has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 301-536-0?
The CAS number of EINECS 301-536-0 is 94022-39-6.
What is the molecular formula of EINECS 301-536-0?
The molecular formula of EINECS 301-536-0 is C36H31N9O10S3.
What is the molecular weight of EINECS 301-536-0?
The molecular weight of EINECS 301-536-0 is 845.14 g/mol.
Where can I buy EINECS 301-536-0?
You can request a quote for EINECS 301-536-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 301-536-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 301-536-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.