EINECS 279-204-9
TL;DR: EINECS 279-204-9 (CAS 79641-28-4) is a chemical compound with molecular formula C23H20N2O9S2 and molecular weight 532.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[5-(2-hydroxyethylsulfonyl)-2-methoxyanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: EINECS 279-204-9, 1-Amino-9,10-dihydro-4-((5-((2-hydroxyethyl)sulphonyl)-2-methoxyphenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid, 1-amino-4-[5-(2-hydroxyethylsulfonyl)-2-methoxyanilino]-9,10-dioxoanthracene-2-sulfonic acid, 1-amino-4-[[5-(2-hydroxyethylsulfonyl)-2-methoxy-phenyl]amino]-9,10-dioxo-anthracene-2-sulfonic acid, 1-amino-4-[[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]amino]-9,10-dioxoanthracene-2-sulfonic acid
| Molecular Formula | C23H20N2O9S2 |
|---|---|
| Molecular Weight | 532.06 g/mol |
| LogP | 1.8091 |
| Topological Polar Surface Area | 190.16 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.06104 |
| Heavy Atoms | 36 |
| Complexity | 1646.2186 |
Chemical Identifiers
| CAS Number | 79641-28-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)CCO)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
Product Overview
EINECS 279-204-9 (CAS 79641-28-4), with molecular formula C23H20N2O9S2 and molecular weight 532.06 g/mol. IUPAC: 1-amino-4-[5-(2-hydroxyethylsulfonyl)-2-methoxyanilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of EINECS 279-204-9
Property Insights of EINECS 279-204-9
The XLogP value of 1.8091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 279-204-9. The TPSA of 190.16 Ų indicates high polarity, suggesting EINECS 279-204-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 279-204-9 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 279-204-9?
The CAS number of EINECS 279-204-9 is 79641-28-4.
What is the molecular formula of EINECS 279-204-9?
The molecular formula of EINECS 279-204-9 is C23H20N2O9S2.
What is the molecular weight of EINECS 279-204-9?
The molecular weight of EINECS 279-204-9 is 532.06 g/mol.
Where can I buy EINECS 279-204-9?
You can request a quote for EINECS 279-204-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-204-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-204-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.