Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate
TL;DR: Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate (CAS 896296-22-3) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
Also Known As: F2590-0322, methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate, methyl 4-[[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate, methyl 4-{[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]carbamoyl}benzoate, methyl p-[N-4,5-dimethyl-3-(N-methylcarbamoyl)-2-thienylcarbamoyl]benzoate
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.76344 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 793.66705 |
Chemical Identifiers
| CAS Number | 896296-22-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)NC)NC(=O)C2=CC=C(C=C2)C(=O)OC)C |
Product Overview
Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate (CAS 896296-22-3), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: methyl 4-[[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate
Property Insights of Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate
The XLogP value of 2.76344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate has 2 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-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate?
The CAS number of Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate is 896296-22-3.
What is the molecular formula of Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate?
The molecular formula of Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate is C17H18N2O4S.
What is the molecular weight of Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate?
The molecular weight of Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate is 346.10 g/mol.
Where can I buy Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate?
You can request a quote for Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-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-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)carbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.