![3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester structure](/static/products/4449/444909-16-4.webp)
3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester
TL;DR: 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester (CAS 444909-16-4) is a chemical compound with molecular formula C20H17NO5S and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxycarbonyl-4-naphthalen-2-ylthiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester, 3-[(3-methoxycarbonyl-4-naphthalen-2-yl-thiophen-2-yl)carbamoyl]propanoic Acid, 3-{[3-(METHOXYCARBONYL)-4-(NAPHTHALEN-2-YL)THIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID, 3-{N-[3-(methoxycarbonyl)-4-(2-naphthyl)-2-thienyl]carbamoyl}propanoic acid, 4-[(3-methoxycarbonyl-4-naphthalen-2-ylthiophen-2-yl)amino]-4-oxobutanoic acid
| Molecular Formula | C20H17NO5S |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 4.1582 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.08273 |
| Heavy Atoms | 27 |
| Complexity | 1024.1389 |
Chemical Identifiers
| CAS Number | 444909-16-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1C2=CC3=CC=CC=C3C=C2)NC(=O)CCC(=O)O |
Product Overview
3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester (CAS 444909-16-4), with molecular formula C20H17NO5S and molecular weight 383.08 g/mol. IUPAC: 4-[(3-methoxycarbonyl-4-naphthalen-2-ylthiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester
Property Insights of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester
The XLogP value of 4.1582 indicates that 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester. Following Lipinski's Rule of Five, 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester 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 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester?
The CAS number of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester is 444909-16-4.
What is the molecular formula of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester?
The molecular formula of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester is C20H17NO5S.
What is the molecular weight of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester?
The molecular weight of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester is 383.08 g/mol.
Where can I buy 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester?
You can request a quote for 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(2-naphthalenyl)-, 3-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.