Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-
TL;DR: Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)- (CAS 72020-15-6) is a chemical compound with molecular formula C17H20N2O6S and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylbenzoic acid
Also Known As: Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-, 3-Amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)benzoic acid, 3-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylbenzoic acid, RefChem:327191
| Molecular Formula | C17H20N2O6S |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 1.4168 |
| Topological Polar Surface Area | 141.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.10422 |
| Heavy Atoms | 26 |
| Complexity | 940.5096 |
Chemical Identifiers
| CAS Number | 72020-15-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N)OC |
Product Overview
Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)- (CAS 72020-15-6), with molecular formula C17H20N2O6S and molecular weight 380.10 g/mol. IUPAC: 3-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-
Property Insights of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-
The XLogP value of 1.4168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-. The TPSA of 141.94 Ų indicates high polarity, suggesting Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)- 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-(2-(3,4-dimethoxyphenyl)ethyl)-?
The CAS number of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)- is 72020-15-6.
What is the molecular formula of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-?
The molecular formula of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)- is C17H20N2O6S.
What is the molecular weight of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-?
The molecular weight of Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)- is 380.10 g/mol.
Where can I buy Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-?
You can request a quote for Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)- 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-(2-(3,4-dimethoxyphenyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.