Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester
TL;DR: Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester (CAS 742-26-7) is a chemical compound with molecular formula C13H8ClN3O4S2 and molecular weight 368.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl) N-(4-chlorophenyl)carbamodithioate
Also Known As: p-Chlorodithiocarbanilic acid 2,4-dinitrophenyl ester, CARBANILIC ACID, p-CHLORODITHIO-, 2,4-DINITROPHENYL ESTER, S-(2',4'-Dinitrophenyl)-N-(4-chlorophenyl)dithiocarbamate, 2,4-Dinitrophenyl (4-chlorophenyl)carbamodithioate, (2,4-dinitrophenyl) N-(4-chlorophenyl)carbamodithioate
| Molecular Formula | C13H8ClN3O4S2 |
|---|---|
| Molecular Weight | 368.96 g/mol |
| LogP | 4.6455 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.96448 |
| Heavy Atoms | 23 |
| Complexity | 783.2891 |
Chemical Identifiers
| CAS Number | 742-26-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester (CAS 742-26-7), with molecular formula C13H8ClN3O4S2 and molecular weight 368.96 g/mol. IUPAC: (2,4-dinitrophenyl) N-(4-chlorophenyl)carbamodithioate.
Chemical Property Profile of Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester
Property Insights of Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester
The XLogP value of 4.6455 indicates that Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester. Following Lipinski's Rule of Five, Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester has 1 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 Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester?
The CAS number of Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester is 742-26-7.
What is the molecular formula of Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester?
The molecular formula of Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester is C13H8ClN3O4S2.
What is the molecular weight of Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester?
The molecular weight of Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester is 368.96 g/mol.
Where can I buy Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester?
You can request a quote for Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl 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-, 2,4-dinitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, p-chlorodithio-, 2,4-dinitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.