![3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid structure](/static/products/890/890993-40-5.png)
3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid
TL;DR: 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid (CAS 890993-40-5) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
Also Known As: 3-[(2-ethylbutanoyl)amino]-2-methylbenzoic acid, 3-(2-Ethylbutanamido)-2-methylbenzoic acid, 3-(2-ethylbutanoylamino)-2-methylbenzoic acid, CHEMBRDG-BB 9019749, 3-(2-Ethylbutanamido)-2-methylbenzoicacid
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 3.06792 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 450.35236 |
Chemical Identifiers
| CAS Number | 890993-40-5 |
|---|---|
| SMILES | CCC(CC)C(=O)NC1=CC=CC(=C1C)C(=O)O |
Product Overview
3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid (CAS 890993-40-5), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: 3-(2-ethylbutanoylamino)-2-methylbenzoic acid.
Chemical Property Profile of 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid
Property Insights of 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid
The XLogP value of 3.06792 indicates that 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic 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 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid has 2 hydrogen bond donor(s) and 2 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-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid?
The CAS number of 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid is 890993-40-5.
What is the molecular formula of 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid?
The molecular formula of 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid is C14H19NO3.
What is the molecular weight of 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid?
The molecular weight of 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid is 249.14 g/mol.
Where can I buy 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid?
You can request a quote for 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.