3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate
TL;DR: 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate (CAS 77052-75-6) is a chemical compound with molecular formula C16H16ClN3OS2 and molecular weight 365.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-oxo-3-(2-phenylhydrazinyl)propyl] N-(4-chlorophenyl)carbamodithioate
Also Known As: 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate, [3-oxo-3-(2-phenylhydrazinyl)propyl] N-(4-chlorophenyl)carba, 3-Oxo-3-(2-phenylhydrazino)propyl (4-chlorophenyl)dithiocarbamate, [3-oxo-3-(2-phenylhydrazino)propyl] N-(4-chlorophenyl)carbamodithioate, [3-oxo-3-(2-phenylhydrazinyl)propyl] N-(4-chlorophenyl)carbamodithioate
| Molecular Formula | C16H16ClN3OS2 |
|---|---|
| Molecular Weight | 365.04 g/mol |
| LogP | 4.3034 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.04233 |
| Heavy Atoms | 23 |
| Complexity | 650.13477 |
Chemical Identifiers
| CAS Number | 77052-75-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NNC(=O)CCSC(=S)NC2=CC=C(C=C2)Cl |
Product Overview
3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate (CAS 77052-75-6), with molecular formula C16H16ClN3OS2 and molecular weight 365.04 g/mol. IUPAC: [3-oxo-3-(2-phenylhydrazinyl)propyl] N-(4-chlorophenyl)carbamodithioate.
Chemical Property Profile of 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate
Property Insights of 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate
The XLogP value of 4.3034 indicates that 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate has 3 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 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate?
The CAS number of 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate is 77052-75-6.
What is the molecular formula of 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate?
The molecular formula of 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate is C16H16ClN3OS2.
What is the molecular weight of 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate?
The molecular weight of 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate is 365.04 g/mol.
Where can I buy 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate?
You can request a quote for 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-(2-phenylhydrazinyl)propyl (4-chlorophenyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.