N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea
TL;DR: N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea (CAS 428446-53-1) is a chemical compound with molecular formula C14H9Cl2N3O3S and molecular weight 368.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide
Also Known As: N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea, 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide, AN-648/40682482
| Molecular Formula | C14H9Cl2N3O3S |
|---|---|
| Molecular Weight | 368.97 g/mol |
| LogP | 4.0284 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.97418 |
| Heavy Atoms | 23 |
| Complexity | 798.587 |
Chemical Identifiers
| CAS Number | 428446-53-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea (CAS 428446-53-1), with molecular formula C14H9Cl2N3O3S and molecular weight 368.97 g/mol. IUPAC: 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea
Property Insights of N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea
The XLogP value of 4.0284 indicates that N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea. Following Lipinski's Rule of Five, N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea has 2 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 N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea?
The CAS number of N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea is 428446-53-1.
What is the molecular formula of N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea?
The molecular formula of N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea is C14H9Cl2N3O3S.
What is the molecular weight of N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea?
The molecular weight of N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea is 368.97 g/mol.
Where can I buy N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea?
You can request a quote for N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorobenzoyl)-N'-{4-chloro-3-nitrophenyl}thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.