![2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid structure](/static/products/312/312940-79-7.png)
2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid
TL;DR: 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid (CAS 312940-79-7) is a chemical compound with molecular formula C17H19NO3S and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
Also Known As: US10273214, Example 1357, AE-848/37241004, 2-[(4-tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid, 2-(4-(tert-butyl)benzamido)-5-methylthiophene-3-carboxylic acid, 2-[(4-tert-butylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
| Molecular Formula | C17H19NO3S |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.10855 |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 312940-79-7 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)O |
| InChIKey | JEPUAHUXSPFPNB-UHFFFAOYSA-N |
Product Overview
2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid (CAS 312940-79-7), with molecular formula C17H19NO3S and molecular weight 317.11 g/mol. IUPAC: 2-[(4-tert-butylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid.
Chemical Property Profile of 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid
Property Insights of 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid
The XLogP value of 4.9 indicates that 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid. Following Lipinski's Rule of Five, 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid has 2 hydrogen bond donor(s) and 4 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 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid?
The CAS number of 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid is 312940-79-7.
What is the molecular formula of 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid?
The molecular formula of 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid is C17H19NO3S.
What is the molecular weight of 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid?
The molecular weight of 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid is 317.11 g/mol.
Where can I buy 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid?
You can request a quote for 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Tert-butylbenzoyl)amino]-5-methyl-3-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.