![3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide structure](/static/products/866/866014-36-0.png)
3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide
TL;DR: 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide (CAS 866014-36-0) is a chemical compound with molecular formula C13H9Cl2N3OS and molecular weight 324.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
Also Known As: 1-(3-chlorobenzoyl)-3-(2-chloropyridin-3-yl)thiourea, 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide, F1601-0462, 3-chloro-N-((2-chloropyridin-3-yl)carbamothioyl)benzamide
| Molecular Formula | C13H9Cl2N3OS |
|---|---|
| Molecular Weight | 324.98 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.98434 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 866014-36-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)NC(=S)NC2=C(N=CC=C2)Cl |
| InChIKey | CKTLLHILHKETLI-UHFFFAOYSA-N |
Product Overview
3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide (CAS 866014-36-0), with molecular formula C13H9Cl2N3OS and molecular weight 324.98 g/mol. IUPAC: 3-chloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide.
Chemical Property Profile of 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide
Property Insights of 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide
The XLogP value of 4.0 indicates that 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 3 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 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide?
The CAS number of 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide is 866014-36-0.
What is the molecular formula of 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide?
The molecular formula of 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide is C13H9Cl2N3OS.
What is the molecular weight of 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide?
The molecular weight of 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide is 324.98 g/mol.
Where can I buy 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide?
You can request a quote for 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[(2-chloropyridin-3-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.