2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid
TL;DR: 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid (CAS 307513-50-4) is a chemical compound with molecular formula C22H21NO3S and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylbenzoyl)amino]-4-phenylthiophene-3-carboxylic acid
Also Known As: US10273214, Example 1406, 2-(4-tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid, 2-[(4-tert-butylbenzoyl)amino]-4-phenylthiophene-3-carboxylic acid, 4-phenyl-2-[(4-tert-butylbenzoyl)amino]thiophene-3-carboxylic Acid, 2-{[4-(tert-butyl)phenyl]carbonylamino}-4-phenylthiophene-3-carboxylic acid
| Molecular Formula | C22H21NO3S |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 5.6631 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.1242 |
| Heavy Atoms | 27 |
| Complexity | 967.04254 |
Chemical Identifiers
| CAS Number | 307513-50-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)O |
Product Overview
2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid (CAS 307513-50-4), with molecular formula C22H21NO3S and molecular weight 379.12 g/mol. IUPAC: 2-[(4-tert-butylbenzoyl)amino]-4-phenylthiophene-3-carboxylic acid.
Chemical Property Profile of 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid
Property Insights of 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid
The XLogP value of 5.6631 indicates that 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid?
The CAS number of 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid is 307513-50-4.
What is the molecular formula of 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid?
The molecular formula of 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid is C22H21NO3S.
What is the molecular weight of 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid?
The molecular weight of 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid is 379.12 g/mol.
Where can I buy 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid?
You can request a quote for 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic 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-butylbenzamido)-4-phenylthiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Tert-butylbenzamido)-4-phenylthiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.