2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-
TL;DR: 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)- (CAS 58596-09-1) is a chemical compound with molecular formula C14H12ClNO5S and molecular weight 341.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetamido-2-chlorosulfonylnaphthalen-1-yl) acetate
Also Known As: 5-1- naphthalene-2-sulphonylchloride, 5-Acetamido-1-acetoxynaphthalene-2-sulfonyl chloride, 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-, 5- -1- naphthalene-2-sulphonylchloride, 5-acetamido-2-(chlorosulfonyl)-1-naphthyl acetate
| Molecular Formula | C14H12ClNO5S |
|---|---|
| Molecular Weight | 341.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.01248 |
| Heavy Atoms | 22 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 58596-09-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC2=C1C=CC(=C2OC(=O)C)S(=O)(=O)Cl |
| InChIKey | GCTZQGUIBACLJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)- (CAS 58596-09-1), with molecular formula C14H12ClNO5S and molecular weight 341.01 g/mol. IUPAC: (5-acetamido-2-chlorosulfonylnaphthalen-1-yl) acetate.
Chemical Property Profile of 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-
Property Insights of 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-. Following Lipinski's Rule of Five, 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)- has 1 hydrogen bond donor(s) and 5 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 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-?
The CAS number of 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)- is 58596-09-1.
What is the molecular formula of 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-?
The molecular formula of 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)- is C14H12ClNO5S.
What is the molecular weight of 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-?
The molecular weight of 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)- is 341.01 g/mol.
Where can I buy 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-?
You can request a quote for 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.