RefChem:1054323
TL;DR: RefChem:1054323 (CAS 34763-27-4) is a chemical compound with molecular formula C19H23ClN2S2 and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chlorophenyl)-2,3-dimethylpentan-3-yl] N-pyridin-3-ylcarbamodithioate
Also Known As: (4-Chlorophenyl)methyl 1-ethyl-1-methylpropyl 3-pyridinylcarbonimidodithioate, butyl 4-chlorobenzyl pyridin-3-ylcarbonodithioimidate, Carbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl 1-ethyl-1-methylpropyl ester, [1-(4-chlorophenyl)-2,3-dimethylpentan-3-yl] N-pyridin-3-ylcarbamodithioate, 1-(4-Chlorophenyl)-2,3-dimethylpentan-3-yl hydrogen pyridin-3-ylcarbonodithioimidate
| Molecular Formula | C19H23ClN2S2 |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 6.2125 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.09912 |
| Heavy Atoms | 24 |
| Complexity | 660.82684 |
Chemical Identifiers
| CAS Number | 34763-27-4 |
|---|---|
| SMILES | CCC(C)(C(C)CC1=CC=C(C=C1)Cl)SC(=S)NC2=CN=CC=C2 |
Product Overview
RefChem:1054323 (CAS 34763-27-4), with molecular formula C19H23ClN2S2 and molecular weight 378.10 g/mol. IUPAC: [1-(4-chlorophenyl)-2,3-dimethylpentan-3-yl] N-pyridin-3-ylcarbamodithioate.
Chemical Property Profile of RefChem:1054323
Property Insights of RefChem:1054323
The XLogP value of 6.2125 indicates that RefChem:1054323 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, RefChem:1054323 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054323 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1054323?
The CAS number of RefChem:1054323 is 34763-27-4.
What is the molecular formula of RefChem:1054323?
The molecular formula of RefChem:1054323 is C19H23ClN2S2.
What is the molecular weight of RefChem:1054323?
The molecular weight of RefChem:1054323 is 378.10 g/mol.
Where can I buy RefChem:1054323?
You can request a quote for RefChem:1054323 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054323?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054323 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.