4-(Acetylamino)benzenesulfinic acid
TL;DR: 4-(Acetylamino)benzenesulfinic acid (CAS 1346604-52-1) is a chemical compound with molecular formula C8H9NO3S and molecular weight 199.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamidobenzenesulfinic acid
Also Known As: 4-acetamidobenzenesulfinic acid, N-Acetylsulfanilic acid, 4-(acetylamino)benzenesulfinic acid, 4-Acetamidobenzenesulphinic acid, p-acetamidobenzenesulfinic acid
| Molecular Formula | C8H9NO3S |
|---|---|
| Molecular Weight | 199.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.03032 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 1346604-52-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)O |
| InChIKey | YDQNDKBOOVXRTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Acetylamino)benzenesulfinic acid (CAS 1346604-52-1), with molecular formula C8H9NO3S and molecular weight 199.03 g/mol. IUPAC: 4-acetamidobenzenesulfinic acid.
Chemical Property Profile of 4-(Acetylamino)benzenesulfinic acid
Property Insights of 4-(Acetylamino)benzenesulfinic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetylamino)benzenesulfinic acid. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylamino)benzenesulfinic acid. Following Lipinski's Rule of Five, 4-(Acetylamino)benzenesulfinic 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)benzenesulfinic acid?
The CAS number of 4-(Acetylamino)benzenesulfinic acid is 1346604-52-1.
What is the molecular formula of 4-(Acetylamino)benzenesulfinic acid?
The molecular formula of 4-(Acetylamino)benzenesulfinic acid is C8H9NO3S.
What is the molecular weight of 4-(Acetylamino)benzenesulfinic acid?
The molecular weight of 4-(Acetylamino)benzenesulfinic acid is 199.03 g/mol.
Where can I buy 4-(Acetylamino)benzenesulfinic acid?
You can request a quote for 4-(Acetylamino)benzenesulfinic 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)benzenesulfinic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)benzenesulfinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.