N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide
TL;DR: N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide (CAS 866014-53-1) is a chemical compound with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-3-pyridinyl)carbamothioyl]-2-methoxybenzamide
Also Known As: N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide, N-[(2-chloropyridin-3-yl)carbamothioyl]-2-methoxybenzamide, N-{[(2-chloropyridin-3-yl)amino]carbonothioyl}-2-methoxybenzamide, 1-(2-CHLOROPYRIDIN-3-YL)-3-(2-METHOXYBENZOYL)THIOUREA, N-[(2-chloro-3-pyridyl)carbamothioyl]-2-methoxy-benzamide
| Molecular Formula | C14H12ClN3O2S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.03387 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 866014-53-1 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)NC(=S)NC2=C(N=CC=C2)Cl |
| InChIKey | ZCKLACTUTMWGMO-UHFFFAOYSA-N |
Product Overview
N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide (CAS 866014-53-1), with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol. IUPAC: N-[(2-chloro-3-pyridinyl)carbamothioyl]-2-methoxybenzamide.
Chemical Property Profile of N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide
Property Insights of N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide
The XLogP value of 4.2 indicates that N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide. Following Lipinski's Rule of Five, N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide has 2 hydrogen bond donor(s) and 4 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)-2-methoxybenzamide?
The CAS number of N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide is 866014-53-1.
What is the molecular formula of N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide?
The molecular formula of N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide is C14H12ClN3O2S.
What is the molecular weight of N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide?
The molecular weight of N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide is 321.03 g/mol.
Where can I buy N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide?
You can request a quote for N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide 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)-2-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.