Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)-
TL;DR: Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)- (CAS 72020-12-3) is a chemical compound with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid
Also Known As: 3-nitro-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid, 3-(Aminosulfonyl)-5-nitro-4-(3-phenylpropyl)benzoic acid, BENZOIC ACID, 3-(AMINOSULFONYL)-5-NITRO-4-(3-PHENYLPROPYL)-, RefChem:327154
| Molecular Formula | C16H16N2O6S |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.0729 |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 72020-12-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-] |
| InChIKey | QKZSJYYNXWOCAO-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)- (CAS 72020-12-3), with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol. IUPAC: 3-nitro-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)-
Property Insights of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)-. The TPSA of 152.0 Ų indicates high polarity, suggesting Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)- 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-(3-phenylpropyl)-?
The CAS number of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)- is 72020-12-3.
What is the molecular formula of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)-?
The molecular formula of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)- is C16H16N2O6S.
What is the molecular weight of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)-?
The molecular weight of Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)- is 364.07 g/mol.
Where can I buy Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)-?
You can request a quote for Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)- 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-(3-phenylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.