Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate
TL;DR: Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate (CAS 853891-97-1) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(3-thiophen-2-ylpropanoylamino)benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(3-(thiophen-2-yl)propanamido)terephthalate, dimethyl 2-(3-thiophen-2-ylpropanoylamino)benzene-1,4-dicarboxylate, methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate, dimethyl 2-{[3-(thiophen-2-yl)propanoyl]amino}benzene-1,4-dicarboxylate
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.8926 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 739.4441 |
Chemical Identifiers
| CAS Number | 853891-97-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCC2=CC=CS2 |
Product Overview
Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate (CAS 853891-97-1), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: dimethyl 2-(3-thiophen-2-ylpropanoylamino)benzene-1,4-dicarboxylate.
Chemical Property Profile of Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate
Property Insights of Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate
The XLogP value of 2.8926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate. Following Lipinski's Rule of Five, Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate has 1 hydrogen bond donor(s) and 6 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-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate?
The CAS number of Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate is 853891-97-1.
What is the molecular formula of Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate?
The molecular formula of Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate is C17H17NO5S.
What is the molecular weight of Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate?
The molecular weight of Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate is 347.08 g/mol.
Where can I buy Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate?
You can request a quote for Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)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-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(methoxycarbonyl)-3-(3-(2-thienyl)propanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.