![3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester structure](/static/products/4449/444905-27-5.webp)
3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester
TL;DR: 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester (CAS 444905-27-5) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid
Also Known As: 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester, 3-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]carbamoyl]propanoic Acid, 3-{N-[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methyl-2-thienyl]carbamoyl} propanoic acid, 4-[[4-(3,4-DIMETHYLPHENYL)-3-(METHOXYCARBONYL)-5-METHYL-2-THIENYL]AMINO]-4-OXOBUTANOIC ACID, 4-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 3.93026 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 869.0547 |
Chemical Identifiers
| CAS Number | 444905-27-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCC(=O)O)C)C |
Product Overview
3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester (CAS 444905-27-5), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: 4-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester
Property Insights of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester
The XLogP value of 3.93026 indicates that 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 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-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester. Following Lipinski's Rule of Five, 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 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-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester?
The CAS number of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester is 444905-27-5.
What is the molecular formula of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester?
The molecular formula of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester is C19H21NO5S.
What is the molecular weight of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester?
The molecular weight of 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester is 375.11 g/mol.
Where can I buy 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester?
You can request a quote for 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 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-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-thiophenecarboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.