(4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate
TL;DR: (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate (CAS 21975-89-3) is a chemical compound with molecular formula C13H8ClFN2O6S and molecular weight 373.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate
Also Known As: (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate, 4-Nitrophenyl [2-chloro-5-(fluorosulfonyl)phenyl]carbamate, (4-nitrophenyl) N-(2-chloro-5-fluorosulfonyl-phenyl)carbamate
| Molecular Formula | C13H8ClFN2O6S |
|---|---|
| Molecular Weight | 373.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.97757 |
| Heavy Atoms | 24 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 21975-89-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)NC2=C(C=CC(=C2)S(=O)(=O)F)Cl |
| InChIKey | YDUCZQXWYPMKBZ-UHFFFAOYSA-N |
Product Overview
(4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate (CAS 21975-89-3), with molecular formula C13H8ClFN2O6S and molecular weight 373.98 g/mol. IUPAC: (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate.
Chemical Property Profile of (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate
Property Insights of (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate
The XLogP value of 3.3 indicates that (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate. Following Lipinski's Rule of Five, (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate has 1 hydrogen bond donor(s) and 7 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-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate?
The CAS number of (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate is 21975-89-3.
What is the molecular formula of (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate?
The molecular formula of (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate is C13H8ClFN2O6S.
What is the molecular weight of (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate?
The molecular weight of (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate is 373.98 g/mol.
Where can I buy (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate?
You can request a quote for (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (4-nitrophenyl) N-(2-chloro-5-fluorosulfonylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.