![N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide structure](/static/products/866/866014-31-5.png)
N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide
TL;DR: N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide (CAS 866014-31-5) is a chemical compound with molecular formula C13H9ClFN3OS and molecular weight 309.01 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-fluorobenzamide
Also Known As: N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide, 3-(2-CHLOROPYRIDIN-3-YL)-1-(4-FLUOROBENZOYL)THIOUREA, N-((2-chloropyridin-3-yl)carbamothioyl)-4-fluorobenzamide, [3-(2-chloro-3-pyridyl)thioureido](p-fluorophenyl)methanone
| Molecular Formula | C13H9ClFN3OS |
|---|---|
| Molecular Weight | 309.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.0139 |
| Heavy Atoms | 20 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 866014-31-5 |
|---|---|
| SMILES | C1=CC(=C(N=C1)Cl)NC(=S)NC(=O)C2=CC=C(C=C2)F |
| InChIKey | YQWPGAHESDWAMO-UHFFFAOYSA-N |
Product Overview
N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide (CAS 866014-31-5), with molecular formula C13H9ClFN3OS and molecular weight 309.01 g/mol. IUPAC: N-[(2-chloro-3-pyridinyl)carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide
Property Insights of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide
The XLogP value of 3.5 indicates that N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide 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 N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide. Following Lipinski's Rule of Five, N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide 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-fluorobenzamide?
The CAS number of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide is 866014-31-5.
What is the molecular formula of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide?
The molecular formula of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide is C13H9ClFN3OS.
What is the molecular weight of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide?
The molecular weight of N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide is 309.01 g/mol.
Where can I buy N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide?
You can request a quote for N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide 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-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-chloropyridin-3-yl)carbamothioyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.