![N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide structure](/static/products/866/866014-34-8.png)
N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide
TL;DR: N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide (CAS 866014-34-8) 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]-4-methoxybenzamide
Also Known As: 3-(2-chloropyridin-3-yl)-1-(4-methoxybenzoyl)thiourea, F1601-0461, N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide, N-((2-chloropyridin-3-yl)carbamothioyl)-4-methoxybenzamide, [3-(2-chloro-3-pyridyl)thioureido](p-methoxyphenyl)methanone
| Molecular Formula | C14H12ClN3O2S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 3.4 |
| 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 | 375.0 |
Chemical Identifiers
| CAS Number | 866014-34-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(N=CC=C2)Cl |
| InChIKey | JUKYUPQURCMUNG-UHFFFAOYSA-N |
Product Overview
N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide (CAS 866014-34-8), with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol. IUPAC: N-[(2-chloro-3-pyridinyl)carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide
Property Insights of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide
The XLogP value of 3.4 indicates that N-[(2-chloropyridin-3-yl)carbamothioyl]-4-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]-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[(2-chloropyridin-3-yl)carbamothioyl]-4-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]-4-methoxybenzamide?
The CAS number of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide is 866014-34-8.
What is the molecular formula of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide?
The molecular formula of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide is C14H12ClN3O2S.
What is the molecular weight of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide?
The molecular weight of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide is 321.03 g/mol.
Where can I buy N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide?
You can request a quote for N-[(2-chloropyridin-3-yl)carbamothioyl]-4-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]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.