1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate
TL;DR: 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate (CAS 320-90-1) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-amino-2-sulfamoylbenzoate
Also Known As: Isopropyl 4-amino-2-sulfamoylbenzoate, Benzoic acid, isopropyl ester, propan-2-yl 4-amino-2-sulfamoylbenzoate, 4-Amino-2-sulfamoylbenzoic acid isopropyl ester, Benzoic acid, 1-methylethyl ester
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 320-90-1 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=C(C=C1)N)S(=O)(=O)N |
| InChIKey | RMKBZZLNLVFLRF-UHFFFAOYSA-N |
Product Overview
1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate (CAS 320-90-1), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: propan-2-yl 4-amino-2-sulfamoylbenzoate.
Chemical Property Profile of 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate
Property Insights of 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate. Following Lipinski's Rule of Five, 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate has 2 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 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate?
The CAS number of 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate is 320-90-1.
What is the molecular formula of 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate?
The molecular formula of 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate is C10H14N2O4S.
What is the molecular weight of 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate?
The molecular weight of 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate is 258.07 g/mol.
Where can I buy 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate?
You can request a quote for 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.