N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea
TL;DR: N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea (CAS 335213-49-5) 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-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4-dimethoxybenzamide
Also Known As: BAS 02818588, N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea, N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4-dimethoxybenzamide, 1-(4-Chloro-3-nitro-phenyl)-3-(3,4-dimethoxy-benzoyl)-thiourea, (3,4-dimethoxyphenyl)-N-{[(4-chloro-3-nitrophenyl)amino]thioxomethyl}carboxami de
| 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 | 335213-49-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC |
Product Overview
N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea (CAS 335213-49-5), with molecular formula C16H14ClN3O5S and molecular weight 395.03 g/mol. IUPAC: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea
Property Insights of N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea
The XLogP value of 3.3922 indicates that N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)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-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea. Following Lipinski's Rule of Five, N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)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-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea?
The CAS number of N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea is 335213-49-5.
What is the molecular formula of N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea?
The molecular formula of N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea is C16H14ClN3O5S.
What is the molecular weight of N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea?
The molecular weight of N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea is 395.03 g/mol.
Where can I buy N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea?
You can request a quote for N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-{4-chloro-3-nitrophenyl}-N'-(3,4-dimethoxybenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.