Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester
TL;DR: Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester (CAS 19457-07-9) is a chemical compound with molecular formula C15H13ClN2O2S2 and molecular weight 352.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-2-nitrophenyl)methyl N-benzylcarbamodithioate
Also Known As: Benzyldithiocarbamic acid 4-chloro-2-nitrobenzyl ester, CARBAMIC ACID, BENZYLDITHIO-, 4-CHLORO-2-NITROBENZYL ESTER, (4-Chloro-2-nitrophenyl)methyl benzylcarbamodithioate, (4-chloro-2-nitrophenyl)methyl N-benzylcarbamodithioate, RefChem:332305
| Molecular Formula | C15H13ClN2O2S2 |
|---|---|
| Molecular Weight | 352.01 g/mol |
| LogP | 4.5561 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0107 |
| Heavy Atoms | 22 |
| Complexity | 680.4976 |
Chemical Identifiers
| CAS Number | 19457-07-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)SCC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester (CAS 19457-07-9), with molecular formula C15H13ClN2O2S2 and molecular weight 352.01 g/mol. IUPAC: (4-chloro-2-nitrophenyl)methyl N-benzylcarbamodithioate.
Chemical Property Profile of Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester
Property Insights of Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester
The XLogP value of 4.5561 indicates that Carbamic acid, benzyldithio-, 4-chloro-2-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, Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, benzyldithio-, 4-chloro-2-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 Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester?
The CAS number of Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester is 19457-07-9.
What is the molecular formula of Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester?
The molecular formula of Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester is C15H13ClN2O2S2.
What is the molecular weight of Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester?
The molecular weight of Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester is 352.01 g/mol.
Where can I buy Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester?
You can request a quote for Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, benzyldithio-, 4-chloro-2-nitrobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.