![Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate structure](/static/products/4614/461403-76-9.webp)
Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate
TL;DR: Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate (CAS 461403-76-9) is a chemical compound with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate
Also Known As: VU0500329-1, METHYL 5-{[1,1'-BIPHENYL]-4-AMIDO}-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE, F2808-0298, Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate, methyl 4-cyano-3-methyl-5-[(4-phenylphenyl)carbonylamino]thiophene-2-carboxyla te
| Molecular Formula | C21H16N2O3S |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 4.6341 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.08817 |
| Heavy Atoms | 27 |
| Complexity | 1031.7838 |
Chemical Identifiers
| CAS Number | 461403-76-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC |
Product Overview
Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate (CAS 461403-76-9), with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol. IUPAC: methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate
Property Insights of Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate
The XLogP value of 4.6341 indicates that Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-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 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate?
The CAS number of Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate is 461403-76-9.
What is the molecular formula of Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate?
The molecular formula of Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate is C21H16N2O3S.
What is the molecular weight of Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate?
The molecular weight of Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate is 376.09 g/mol.
Where can I buy Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate?
You can request a quote for Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-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 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-cyano-3-methyl-5-[(4-phenylbenzoyl)amino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.