Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-
TL;DR: Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)- (CAS 72020-17-8) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid
Also Known As: 3-amino-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid, 3-Amino-5-(aminosulfonyl)-4-(3-phenylpropyl)benzoic acid, BENZOIC ACID, 3-AMINO-5-(AMINOSULFONYL)-4-(3-PHENYLPROPYL)-, RefChem:327194
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 72020-17-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N |
| InChIKey | ZWWSPTSDFWAAPT-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)- (CAS 72020-17-8), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: 3-amino-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-
Property Insights of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-. Following Lipinski's Rule of Five, Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)- has 3 hydrogen bond donor(s) and 6 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-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-?
The CAS number of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)- is 72020-17-8.
What is the molecular formula of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-?
The molecular formula of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)- is C16H18N2O4S.
What is the molecular weight of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-?
The molecular weight of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)- is 334.10 g/mol.
Where can I buy Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-?
You can request a quote for Benzoic acid, 3-amino-5-(aminosulfonyl)-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-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.