4-(Chlorosulfonyl)-2-nitrophenyl acetate
TL;DR: 4-(Chlorosulfonyl)-2-nitrophenyl acetate (CAS 147237-63-6) is a chemical compound with molecular formula C8H6ClNO6S and molecular weight 278.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorosulfonyl-2-nitrophenyl) acetate
Also Known As: (4-chlorosulfonyl-2-nitrophenyl) acetate, 4-(chlorosulfonyl)-2-nitrophenyl acetate, (4-chlorosulfonyl-2-nitro-phenyl) Acetate
| Molecular Formula | C8H6ClNO6S |
|---|---|
| Molecular Weight | 278.96 g/mol |
| LogP | 1.4476 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.96045 |
| Heavy Atoms | 17 |
| Complexity | 581.6782 |
Chemical Identifiers
| CAS Number | 147237-63-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-] |
Product Overview
4-(Chlorosulfonyl)-2-nitrophenyl acetate (CAS 147237-63-6), with molecular formula C8H6ClNO6S and molecular weight 278.96 g/mol. IUPAC: (4-chlorosulfonyl-2-nitrophenyl) acetate.
Chemical Property Profile of 4-(Chlorosulfonyl)-2-nitrophenyl acetate
Property Insights of 4-(Chlorosulfonyl)-2-nitrophenyl acetate
The XLogP value of 1.4476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chlorosulfonyl)-2-nitrophenyl acetate. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Chlorosulfonyl)-2-nitrophenyl acetate. Following Lipinski's Rule of Five, 4-(Chlorosulfonyl)-2-nitrophenyl acetate has 0 hydrogen bond donor(s) and 6 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-(Chlorosulfonyl)-2-nitrophenyl acetate?
The CAS number of 4-(Chlorosulfonyl)-2-nitrophenyl acetate is 147237-63-6.
What is the molecular formula of 4-(Chlorosulfonyl)-2-nitrophenyl acetate?
The molecular formula of 4-(Chlorosulfonyl)-2-nitrophenyl acetate is C8H6ClNO6S.
What is the molecular weight of 4-(Chlorosulfonyl)-2-nitrophenyl acetate?
The molecular weight of 4-(Chlorosulfonyl)-2-nitrophenyl acetate is 278.96 g/mol.
Where can I buy 4-(Chlorosulfonyl)-2-nitrophenyl acetate?
You can request a quote for 4-(Chlorosulfonyl)-2-nitrophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chlorosulfonyl)-2-nitrophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chlorosulfonyl)-2-nitrophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.