N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea
TL;DR: N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea (CAS 333739-33-6) is a chemical compound with molecular formula C16H14ClN3O5S and molecular weight 395.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
Also Known As: BAS 02820062, N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea, N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide, 1-(3-Chloro-4-methoxy-phenyl)-3-(4-methoxy-3-nitro-benzoyl)-thiourea, N-{[(3-chloro-4-methoxyphenyl)amino]thioxomethyl}(4-methoxy-3-nitrophenyl)carb oxamide
| Molecular Formula | C16H14ClN3O5S |
|---|---|
| Molecular Weight | 395.03 g/mol |
| LogP | 3.3922 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.03427 |
| Heavy Atoms | 26 |
| Complexity | 874.95886 |
Chemical Identifiers
| CAS Number | 333739-33-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl)[N+](=O)[O-] |
Product Overview
N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea (CAS 333739-33-6), with molecular formula C16H14ClN3O5S and molecular weight 395.03 g/mol. IUPAC: N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea
Property Insights of N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea
The XLogP value of 3.3922 indicates that N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea. Following Lipinski's Rule of Five, N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea has 2 hydrogen bond donor(s) and 6 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-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea?
The CAS number of N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea is 333739-33-6.
What is the molecular formula of N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea?
The molecular formula of N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea is C16H14ClN3O5S.
What is the molecular weight of N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea?
The molecular weight of N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea is 395.03 g/mol.
Where can I buy N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea?
You can request a quote for N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}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-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.