EINECS 276-917-7
TL;DR: EINECS 276-917-7 (CAS 72829-30-2) is a chemical compound with molecular formula C18H16N4O7S2 and molecular weight 464.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-5-(2-nitro-4-sulfamoylanilino)benzenesulfonic acid
Also Known As: EINECS 276-917-7, Benzenesulfonic acid, 5-[[4-(aminosulfonyl)-2-nitrophenyl]amino]-2-(phenylamino)-, 2-anilino-5-(2-nitro-4-sulfamoylanilino)benzenesulfonic acid, 5-[[4- -2-nitrophenyl]amino]-2-anilinobenzenesulphonicacid, 5-[[4-(AMINOSULFONYL)-2-NITROPHENYL]AMINO]-2-(PHENYLAMINO)BENZENESULFONIC ACID
| Molecular Formula | C18H16N4O7S2 |
|---|---|
| Molecular Weight | 464.05 g/mol |
| LogP | 2.9761 |
| Topological Polar Surface Area | 181.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.04605 |
| Heavy Atoms | 31 |
| Complexity | 1358.9105 |
Chemical Identifiers
| CAS Number | 72829-30-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])S(=O)(=O)O |
Product Overview
EINECS 276-917-7 (CAS 72829-30-2), with molecular formula C18H16N4O7S2 and molecular weight 464.05 g/mol. IUPAC: 2-anilino-5-(2-nitro-4-sulfamoylanilino)benzenesulfonic acid.
Chemical Property Profile of EINECS 276-917-7
Property Insights of EINECS 276-917-7
The XLogP value of 2.9761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 276-917-7. The TPSA of 181.73 Ų indicates high polarity, suggesting EINECS 276-917-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 276-917-7 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 276-917-7?
The CAS number of EINECS 276-917-7 is 72829-30-2.
What is the molecular formula of EINECS 276-917-7?
The molecular formula of EINECS 276-917-7 is C18H16N4O7S2.
What is the molecular weight of EINECS 276-917-7?
The molecular weight of EINECS 276-917-7 is 464.05 g/mol.
Where can I buy EINECS 276-917-7?
You can request a quote for EINECS 276-917-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 276-917-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 276-917-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.