Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate
TL;DR: Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate (CAS 59337-93-8) is a chemical compound with molecular formula C6H7NO4S2 and molecular weight 220.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-sulfamoylthiophene-2-carboxylate
Also Known As: methyl 3-sulfamoylthiophene-2-carboxylate, Methyl 3-aminosulfonylthiophene-2-carboxylate, methyl 3-(aminosulfonyl)thiophene-2-carboxylate, Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate, Thifensulfuron-methyl metabolite
| Molecular Formula | C6H7NO4S2 |
|---|---|
| Molecular Weight | 220.98 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.98164 |
| Heavy Atoms | 13 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 59337-93-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)S(=O)(=O)N |
| InChIKey | PMXNPOJHBQDJKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate (CAS 59337-93-8), with molecular formula C6H7NO4S2 and molecular weight 220.98 g/mol. IUPAC: methyl 3-sulfamoylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate
Property Insights of Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate has 1 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 Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate?
The CAS number of Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate is 59337-93-8.
What is the molecular formula of Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate?
The molecular formula of Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate is C6H7NO4S2.
What is the molecular weight of Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate?
The molecular weight of Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate is 220.98 g/mol.
Where can I buy Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate?
You can request a quote for Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.