(4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide
TL;DR: (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide (CAS 1024522-97-1) is a chemical compound with molecular formula C15H12ClN3O2S and molecular weight 333.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(phenylcarbamoylcarbamothioyl)benzamide
Also Known As: 4-chloro-N-(phenylcarbamoylcarbamothioyl)benzamide, (4-CHLOROPHENYL)-N-(((PHENYLAMINO)CARBONYLAMINO)THIOXOMETHYL)FORMAMIDE, 4-chloro-N-(phenylcarbamoylthiocarbamoyl)benzamide, 4-chloro-N-{[(phenylcarbamoyl)amino]methanethioyl}benzamide
| Molecular Formula | C15H12ClN3O2S |
|---|---|
| Molecular Weight | 333.03 g/mol |
| LogP | 3.1764 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.03387 |
| Heavy Atoms | 22 |
| Complexity | 689.69354 |
Chemical Identifiers
| CAS Number | 1024522-97-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC(=S)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
(4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide (CAS 1024522-97-1), with molecular formula C15H12ClN3O2S and molecular weight 333.03 g/mol. IUPAC: 4-chloro-N-(phenylcarbamoylcarbamothioyl)benzamide.
Chemical Property Profile of (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide
Property Insights of (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide
The XLogP value of 3.1764 indicates that (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide. Following Lipinski's Rule of Five, (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide has 3 hydrogen bond donor(s) and 3 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 (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide?
The CAS number of (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide is 1024522-97-1.
What is the molecular formula of (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide?
The molecular formula of (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide is C15H12ClN3O2S.
What is the molecular weight of (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide?
The molecular weight of (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide is 333.03 g/mol.
Where can I buy (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide?
You can request a quote for (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)-N-(((phenylamino)carbonylamino)thioxomethyl)formamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.