Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate
TL;DR: Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate (CAS 445288-03-9) is a chemical compound with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: TimTec1_007948, BAS 04435520, IDI1_033602, methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate, VU0500328-1
| Molecular Formula | C15H12N2O3S |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.9671 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.05685 |
| Heavy Atoms | 21 |
| Complexity | 729.36725 |
Chemical Identifiers
| CAS Number | 445288-03-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate (CAS 445288-03-9), with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol. IUPAC: methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate
Property Insights of Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate
The XLogP value of 2.9671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate 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 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate?
The CAS number of Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate is 445288-03-9.
What is the molecular formula of Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate?
The molecular formula of Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate is C15H12N2O3S.
What is the molecular weight of Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate?
The molecular weight of Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate is 300.06 g/mol.
Where can I buy Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate?
You can request a quote for Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-benzamido-4-cyano-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.