4-(Acetylamino)-3-methylbenzenesulfonic acid
TL;DR: 4-(Acetylamino)-3-methylbenzenesulfonic acid (CAS 76382-58-6) is a chemical compound with molecular formula C9H11NO4S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-3-methylbenzenesulfonic acid
Also Known As: 4-acetamido-3-methylbenzenesulfonic acid, 4-Acetylamino-3-methylbenzenesulfonic acid, 4-(Acetylamino)-3-methylbenzenesulfonic acid, 4-acetamido-3-methylbenzene-1-sulfonic acid
| Molecular Formula | C9H11NO4S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.04088 |
| Heavy Atoms | 15 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 76382-58-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)O)NC(=O)C |
| InChIKey | GBRVQOBFHZCFGK-UHFFFAOYSA-N |
Product Overview
4-(Acetylamino)-3-methylbenzenesulfonic acid (CAS 76382-58-6), with molecular formula C9H11NO4S and molecular weight 229.04 g/mol. IUPAC: 4-acetamido-3-methylbenzenesulfonic acid.
Chemical Property Profile of 4-(Acetylamino)-3-methylbenzenesulfonic acid
Property Insights of 4-(Acetylamino)-3-methylbenzenesulfonic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetylamino)-3-methylbenzenesulfonic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylamino)-3-methylbenzenesulfonic acid. Following Lipinski's Rule of Five, 4-(Acetylamino)-3-methylbenzenesulfonic 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-(Acetylamino)-3-methylbenzenesulfonic acid?
The CAS number of 4-(Acetylamino)-3-methylbenzenesulfonic acid is 76382-58-6.
What is the molecular formula of 4-(Acetylamino)-3-methylbenzenesulfonic acid?
The molecular formula of 4-(Acetylamino)-3-methylbenzenesulfonic acid is C9H11NO4S.
What is the molecular weight of 4-(Acetylamino)-3-methylbenzenesulfonic acid?
The molecular weight of 4-(Acetylamino)-3-methylbenzenesulfonic acid is 229.04 g/mol.
Where can I buy 4-(Acetylamino)-3-methylbenzenesulfonic acid?
You can request a quote for 4-(Acetylamino)-3-methylbenzenesulfonic 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-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)-3-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.