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Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate
TL;DR: Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate (CAS 79128-72-6) is a chemical compound with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylate
Also Known As: Maybridge3_001597, RARECHEM AL CB 1005, METHYL 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}-2-THIOPHENECARBOXYLATE, Methyl 3-(4-methylphenylsulfonamido)thiophene-2-carboxylate, 9810AE
| Molecular Formula | C13H13NO4S2 |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 2.64392 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0286 |
| Heavy Atoms | 20 |
| Complexity | 717.08435 |
Chemical Identifiers
| CAS Number | 79128-72-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC=C2)C(=O)OC |
Product Overview
Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate (CAS 79128-72-6), with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol. IUPAC: methyl 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate
Property Insights of Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate
The XLogP value of 2.64392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate 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 Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate?
The CAS number of Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate is 79128-72-6.
What is the molecular formula of Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate?
The molecular formula of Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate is C13H13NO4S2.
What is the molecular weight of Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate?
The molecular weight of Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate is 311.03 g/mol.
Where can I buy Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate?
You can request a quote for Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-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-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.