![N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide structure](/static/products/4284/428495-04-9.webp)
N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide
TL;DR: N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide (CAS 428495-04-9) is a chemical compound with molecular formula C21H25ClN2O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide
Also Known As: N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide, AB00108760-01, N-(3-chloro-2-methylphenyl)-N'-(3,4,5-triethoxybenzoyl)thiourea
| Molecular Formula | C21H25ClN2O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 4.97132 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 436.12234 |
| Heavy Atoms | 29 |
| Complexity | 861.9751 |
Chemical Identifiers
| CAS Number | 428495-04-9 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)C |
Product Overview
N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide (CAS 428495-04-9), with molecular formula C21H25ClN2O4S and molecular weight 436.12 g/mol. IUPAC: N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide.
Chemical Property Profile of N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide
Property Insights of N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide
The XLogP value of 4.97132 indicates that N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide. Following Lipinski's Rule of Five, N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide has 2 hydrogen bond donor(s) and 5 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-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide?
The CAS number of N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide is 428495-04-9.
What is the molecular formula of N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide?
The molecular formula of N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide is C21H25ClN2O4S.
What is the molecular weight of N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide?
The molecular weight of N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide is 436.12 g/mol.
Where can I buy N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide?
You can request a quote for N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide 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-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.