N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide
TL;DR: N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide (CAS 866014-40-6) is a chemical compound with molecular formula C15H14ClN3O3S and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-3-pyridinyl)carbamothioyl]-3,5-dimethoxybenzamide
Also Known As: 1-(2-CHLOROPYRIDIN-3-YL)-3-(3,5-DIMETHOXYBENZOYL)THIOUREA, F1601-0464, N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide, N-[(2-chloropyridin-3-yl)carbamothioyl]-3,5-dimethoxybenzamide
| Molecular Formula | C15H14ClN3O3S |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 2.879 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.04443 |
| Heavy Atoms | 23 |
| Complexity | 717.4071 |
Chemical Identifiers
| CAS Number | 866014-40-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(N=CC=C2)Cl)OC |
Product Overview
N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide (CAS 866014-40-6), with molecular formula C15H14ClN3O3S and molecular weight 351.04 g/mol. IUPAC: N-[(2-chloro-3-pyridinyl)carbamothioyl]-3,5-dimethoxybenzamide.
Chemical Property Profile of N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide
Property Insights of N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide
The XLogP value of 2.879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide. The TPSA of 72.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide. Following Lipinski's Rule of Five, N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide 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-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide?
The CAS number of N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide is 866014-40-6.
What is the molecular formula of N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide?
The molecular formula of N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide is C15H14ClN3O3S.
What is the molecular weight of N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide?
The molecular weight of N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide is 351.04 g/mol.
Where can I buy N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide?
You can request a quote for N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((2-chloropyridin-3-yl)carbamothioyl)-3,5-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.