Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester
TL;DR: Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester (CAS 69378-79-6) is a chemical compound with molecular formula C14H11ClN2OS2 and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl N-(5-chloro-2-pyridinyl)carbamodithioate
Also Known As: (Chloro-5 pyridyl-2)dithiocarbamate de phenacyle, (Chloro-5 pyridyl-2)dithiocarbamate de phenacyle [French], phenacyl 5-chloropyrid-2-yldithiocarbamate, 2-Oxo-2-phenylethyl (5-chloro-2-pyridinyl)carbamodithioate, Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester
| Molecular Formula | C14H11ClN2OS2 |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 4.0479 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.00012 |
| Heavy Atoms | 20 |
| Complexity | 602.3308 |
Chemical Identifiers
| CAS Number | 69378-79-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC(=S)NC2=NC=C(C=C2)Cl |
Product Overview
Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester (CAS 69378-79-6), with molecular formula C14H11ClN2OS2 and molecular weight 322.00 g/mol. IUPAC: phenacyl N-(5-chloro-2-pyridinyl)carbamodithioate.
Chemical Property Profile of Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester
Property Insights of Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester
The XLogP value of 4.0479 indicates that Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl 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 Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester?
The CAS number of Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester is 69378-79-6.
What is the molecular formula of Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester?
The molecular formula of Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester is C14H11ClN2OS2.
What is the molecular weight of Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester?
The molecular weight of Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester is 322.00 g/mol.
Where can I buy Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester?
You can request a quote for Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, (5-chloro-2-pyridinyl)-, 2-oxo-2-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.