4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid
TL;DR: 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid (CAS 312940-70-8) 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-[(3-methylbenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid
Also Known As: AE-848/11734043, 4-isobutyl-2-(3-methylbenzamido)thiophene-3-carboxylic acid, 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid, 4-isobutyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylic acid, 2-[(3-methylbenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid
| Molecular Formula | C17H19NO3S |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.10855 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 312940-70-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC2=C(C(=CS2)CC(C)C)C(=O)O |
| InChIKey | JBMZFEUXARNHIT-UHFFFAOYSA-N |
Product Overview
4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid (CAS 312940-70-8), with molecular formula C17H19NO3S and molecular weight 317.11 g/mol. IUPAC: 2-[(3-methylbenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid.
Chemical Property Profile of 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid
Property Insights of 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid
The XLogP value of 4.8 indicates that 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic 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 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic 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 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid?
The CAS number of 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid is 312940-70-8.
What is the molecular formula of 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid?
The molecular formula of 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid is C17H19NO3S.
What is the molecular weight of 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid?
The molecular weight of 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid is 317.11 g/mol.
Where can I buy 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid?
You can request a quote for 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-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 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Isobutyl-2-(3-methyl-benzoylamino)-thiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.