Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)-
TL;DR: Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)- (CAS 50714-07-3) is a chemical compound with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(2-phenylethyl)-5-sulfamoylbenzoic acid
Also Known As: BENZOIC ACID, 3-(AMINOSULFONYL)-5-NITRO-4-(2-PHENYLETHYL)-, 3-(Aminosulfonyl)-5-nitro-4-(2-phenylethyl)benzoic acid, 3-nitro-4-phenethyl-5-sulfamoylbenzoic acid, 3-Nitro-4-(2-phenylethyl)-5-sulfamoylbenzoic acid, BRN 2782031
| Molecular Formula | C15H14N2O6S |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.05725 |
| Heavy Atoms | 24 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 50714-07-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-] |
| InChIKey | AXVWZQZFQXSHIR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)- (CAS 50714-07-3), with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol. IUPAC: 3-nitro-4-(2-phenylethyl)-5-sulfamoylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)-
Property Insights of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)-. The TPSA of 152.0 Ų indicates high polarity, suggesting Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)- has 2 hydrogen bond donor(s) and 7 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 Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)-?
The CAS number of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)- is 50714-07-3.
What is the molecular formula of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)-?
The molecular formula of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)- is C15H14N2O6S.
What is the molecular weight of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)-?
The molecular weight of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)- is 350.06 g/mol.
Where can I buy Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)-?
You can request a quote for Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.