3-Acetamidobenzenesulfonic acid
TL;DR: 3-Acetamidobenzenesulfonic acid (CAS 54981-39-4) is a chemical compound with molecular formula C8H9NO4S and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamidobenzenesulfonic acid
Also Known As: 3-acetamidobenzenesulfonic acid, 3-(acetylamino)benzenesulfonic acid, 3-Acetamidobenzene sulfonic acid, Benzenesulfonic acid, 3-(acetylamino)-, 3-acetylamino-benzenesulfonic acid
| Molecular Formula | C8H9NO4S |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 0.8917 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.02522 |
| Heavy Atoms | 14 |
| Complexity | 452.164 |
Chemical Identifiers
| CAS Number | 54981-39-4 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC=C1)S(=O)(=O)O |
Product Overview
3-Acetamidobenzenesulfonic acid (CAS 54981-39-4), with molecular formula C8H9NO4S and molecular weight 215.03 g/mol. IUPAC: 3-acetamidobenzenesulfonic acid.
Chemical Property Profile of 3-Acetamidobenzenesulfonic acid
Property Insights of 3-Acetamidobenzenesulfonic acid
The XLogP value of 0.8917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetamidobenzenesulfonic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetamidobenzenesulfonic acid. Following Lipinski's Rule of Five, 3-Acetamidobenzenesulfonic 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 3-Acetamidobenzenesulfonic acid?
The CAS number of 3-Acetamidobenzenesulfonic acid is 54981-39-4.
What is the molecular formula of 3-Acetamidobenzenesulfonic acid?
The molecular formula of 3-Acetamidobenzenesulfonic acid is C8H9NO4S.
What is the molecular weight of 3-Acetamidobenzenesulfonic acid?
The molecular weight of 3-Acetamidobenzenesulfonic acid is 215.03 g/mol.
Where can I buy 3-Acetamidobenzenesulfonic acid?
You can request a quote for 3-Acetamidobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetamidobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetamidobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.