Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester
TL;DR: Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester (CAS 7220-29-3) is a chemical compound with molecular formula C14H11ClN2O2S2 and molecular weight 338.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl N-(4-chlorophenyl)carbamodithioate
Also Known As: p-Nitrobenzyl p-chlorodithiocarbanilate, p-Chlorodithiocarbanilic acid p-nitrobenzyl ester, CARBANILIC ACID, p-CHLORODITHIO-, p-NITROBENZYL ESTER, (4-Nitrophenyl)methyl (4-chlorophenyl)carbamodithioate, (4-nitrophenyl)methyl N-(4-chlorophenyl)carbamodithioate
| Molecular Formula | C14H11ClN2O2S2 |
|---|---|
| Molecular Weight | 338.00 g/mol |
| LogP | 4.8784 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.99506 |
| Heavy Atoms | 21 |
| Complexity | 645.0285 |
Chemical Identifiers
| CAS Number | 7220-29-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC(=S)NC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester (CAS 7220-29-3), with molecular formula C14H11ClN2O2S2 and molecular weight 338.00 g/mol. IUPAC: (4-nitrophenyl)methyl N-(4-chlorophenyl)carbamodithioate.
Chemical Property Profile of Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester
Property Insights of Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester
The XLogP value of 4.8784 indicates that Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester has 1 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 Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester?
The CAS number of Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester is 7220-29-3.
What is the molecular formula of Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester?
The molecular formula of Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester is C14H11ClN2O2S2.
What is the molecular weight of Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester?
The molecular weight of Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester is 338.00 g/mol.
Where can I buy Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester?
You can request a quote for Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, p-chlorodithio-, p-nitrobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.