3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester
TL;DR: 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester (CAS 331256-49-6) is a chemical compound with molecular formula C16H13ClN2O6S and molecular weight 396.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
Also Known As: BAS 00360429, 4-chlorophenyl 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonate, 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester, 4-chlorophenyl 3-nitro-4-(2-oxopyrrolidinyl)benzenesulfonate, (4-chlorophenyl) 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
| Molecular Formula | C16H13ClN2O6S |
|---|---|
| Molecular Weight | 396.02 g/mol |
| LogP | 3.1427 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.01828 |
| Heavy Atoms | 26 |
| Complexity | 974.73456 |
Chemical Identifiers
| CAS Number | 331256-49-6 |
|---|---|
| SMILES | C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester (CAS 331256-49-6), with molecular formula C16H13ClN2O6S and molecular weight 396.02 g/mol. IUPAC: (4-chlorophenyl) 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonate.
Chemical Property Profile of 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester
Property Insights of 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester
The XLogP value of 3.1427 indicates that 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester. Following Lipinski's Rule of Five, 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester 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 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester?
The CAS number of 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester is 331256-49-6.
What is the molecular formula of 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester?
The molecular formula of 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester is C16H13ClN2O6S.
What is the molecular weight of 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester?
The molecular weight of 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester is 396.02 g/mol.
Where can I buy 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester?
You can request a quote for 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonic acid 4-chloro-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.