4-(Acetylamino)-3,5-dimethylbenzoic acid
TL;DR: 4-(Acetylamino)-3,5-dimethylbenzoic acid (CAS 91133-39-0) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-3,5-dimethylbenzoic acid
Also Known As: 4-acetamido-3,5-dimethylbenzoic acid, 4-(acetylamino)-3,5-dimethylbenzoic acid, NCIOpen2_003798, Benzoicacid, 4-(acetylamino)-3,5-dimethyl-, benzoic acid, 4-(acetylamino)-3,5-dimethyl-
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 91133-39-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1NC(=O)C)C)C(=O)O |
| InChIKey | MLDROYFTXVEVOV-UHFFFAOYSA-N |
Product Overview
4-(Acetylamino)-3,5-dimethylbenzoic acid (CAS 91133-39-0), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 4-acetamido-3,5-dimethylbenzoic acid.
Chemical Property Profile of 4-(Acetylamino)-3,5-dimethylbenzoic acid
Property Insights of 4-(Acetylamino)-3,5-dimethylbenzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetylamino)-3,5-dimethylbenzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylamino)-3,5-dimethylbenzoic acid. Following Lipinski's Rule of Five, 4-(Acetylamino)-3,5-dimethylbenzoic acid has 2 hydrogen bond donor(s) and 3 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-(Acetylamino)-3,5-dimethylbenzoic acid?
The CAS number of 4-(Acetylamino)-3,5-dimethylbenzoic acid is 91133-39-0.
What is the molecular formula of 4-(Acetylamino)-3,5-dimethylbenzoic acid?
The molecular formula of 4-(Acetylamino)-3,5-dimethylbenzoic acid is C11H13NO3.
What is the molecular weight of 4-(Acetylamino)-3,5-dimethylbenzoic acid?
The molecular weight of 4-(Acetylamino)-3,5-dimethylbenzoic acid is 207.09 g/mol.
Where can I buy 4-(Acetylamino)-3,5-dimethylbenzoic acid?
You can request a quote for 4-(Acetylamino)-3,5-dimethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetylamino)-3,5-dimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)-3,5-dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.