![Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate structure](/static/products/896/896302-91-3.png)
Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate
TL;DR: Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate (CAS 896302-91-3) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate
Also Known As: methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate, F2590-0050, methyl 4-((3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl)benzoate
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 3.27552 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 769.924 |
Chemical Identifiers
| CAS Number | 896302-91-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C(=O)OC)C |
Product Overview
Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate (CAS 896302-91-3), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate
Property Insights of Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate
The XLogP value of 3.27552 indicates that Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate 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-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate 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-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate?
The CAS number of Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate is 896302-91-3.
What is the molecular formula of Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate?
The molecular formula of Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate is C16H14N2O3S.
What is the molecular weight of Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate?
The molecular weight of Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate is 314.07 g/mol.
Where can I buy Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate?
You can request a quote for Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.