3-(氨磺酰基)苯甲酸甲酯
TL;DR: 3-(氨磺酰基)苯甲酸甲酯 (CAS 59777-67-2) is a chemical compound with molecular formula C8H9NO4S and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(氨磺酰基)苯甲酸甲酯
methyl 3-sulfamoylbenzoate
Also Known As: Methyl 3-sulfamoylbenzoate, Methyl, 3-aminosulfonyl benzoate, Methyl,3-aminosulfonylbenzoate, Methyl,3-aminosulfonyl benzoate, Methyl 3-(aminosulfonyl)benzoate
| Molecular Formula | C8H9NO4S |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.02522 |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 59777-67-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)S(=O)(=O)N |
| InChIKey | BUYUOBGADRKVAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(氨磺酰基)苯甲酸甲酯 (CAS 59777-67-2), with molecular formula C8H9NO4S and molecular weight 215.03 g/mol. IUPAC: methyl 3-sulfamoylbenzoate.
Chemical Property Profile of 3-(氨磺酰基)苯甲酸甲酯
Property Insights of 3-(氨磺酰基)苯甲酸甲酯
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(氨磺酰基)苯甲酸甲酯. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(氨磺酰基)苯甲酸甲酯. Following Lipinski's Rule of Five, 3-(氨磺酰基)苯甲酸甲酯 has 1 hydrogen bond donor(s) and 5 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 3-(氨磺酰基)苯甲酸甲酯?
The CAS number of 3-(氨磺酰基)苯甲酸甲酯 is 59777-67-2.
What is the molecular formula of 3-(氨磺酰基)苯甲酸甲酯?
The molecular formula of 3-(氨磺酰基)苯甲酸甲酯 is C8H9NO4S.
What is the molecular weight of 3-(氨磺酰基)苯甲酸甲酯?
The molecular weight of 3-(氨磺酰基)苯甲酸甲酯 is 215.03 g/mol.
Where can I buy 3-(氨磺酰基)苯甲酸甲酯?
You can request a quote for 3-(氨磺酰基)苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(氨磺酰基)苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3-(氨磺酰基)苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.