![N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide structure](/static/products/3352/335214-44-3.webp)
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
TL;DR: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 335214-44-3) is a chemical compound with molecular formula C17H16ClN3O6S and molecular weight 425.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Also Known As: BAS 02819096, N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide, N-{4-chloro-3-nitrophenyl}-N'-(3,4,5-trimethoxybenzoyl)thiourea, 1-(4-Chloro-3-nitro-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea, N-{[(4-chloro-3-nitrophenyl)amino]thioxomethyl}(3,4,5-trimethoxyphenyl)carboxa mide
| Molecular Formula | C17H16ClN3O6S |
|---|---|
| Molecular Weight | 425.04 g/mol |
| LogP | 3.4008 |
| Topological Polar Surface Area | 111.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.04483 |
| Heavy Atoms | 28 |
| Complexity | 912.099 |
Chemical Identifiers
| CAS Number | 335214-44-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 335214-44-3), with molecular formula C17H16ClN3O6S and molecular weight 425.04 g/mol. IUPAC: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Property Insights of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
The XLogP value of 3.4008 indicates that N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide has 2 hydrogen bond donor(s) and 7 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)carbamothioyl]-3,4,5-trimethoxybenzamide?
The CAS number of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is 335214-44-3.
What is the molecular formula of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular formula of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is C17H16ClN3O6S.
What is the molecular weight of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular weight of N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is 425.04 g/mol.
Where can I buy N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
You can request a quote for N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide 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)carbamothioyl]-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.