![3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid structure](/static/products/1091/109164-40-1.webp)
3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid
TL;DR: 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid (CAS 109164-40-1) is a chemical compound with molecular formula C13H17NO5S and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: BAS 00356320, 3-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid, 4-((3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoic acid, 3-{N-[3-(ethoxycarbonyl)-4,5-dimethyl-2-thienyl]carbamoyl}propanoic acid, 4-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobutanoic acid
| Molecular Formula | C13H17NO5S |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.08273 |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 109164-40-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCC(=O)O |
| InChIKey | CEUBXXKPXQZBDU-UHFFFAOYSA-N |
Product Overview
3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid (CAS 109164-40-1), with molecular formula C13H17NO5S and molecular weight 299.08 g/mol. IUPAC: 4-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid
Property Insights of 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid. Following Lipinski's Rule of Five, 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid has 2 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 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid?
The CAS number of 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid is 109164-40-1.
What is the molecular formula of 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid?
The molecular formula of 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid is C13H17NO5S.
What is the molecular weight of 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid?
The molecular weight of 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid is 299.08 g/mol.
Where can I buy 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid?
You can request a quote for 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.