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N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide
TL;DR: N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide (CAS 428447-17-0) 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-[(5-chloro-2-pyridinyl)carbamothioyl]-3-fluorobenzamide
Also Known As: N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide, AB00106823-01
| Molecular Formula | C13H9ClFN3OS |
|---|---|
| Molecular Weight | 309.01 g/mol |
| LogP | 3.0009 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.0139 |
| Heavy Atoms | 20 |
| Complexity | 648.31946 |
Chemical Identifiers
| CAS Number | 428447-17-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(=O)NC(=S)NC2=NC=C(C=C2)Cl |
Product Overview
N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide (CAS 428447-17-0), with molecular formula C13H9ClFN3OS and molecular weight 309.01 g/mol. IUPAC: N-[(5-chloro-2-pyridinyl)carbamothioyl]-3-fluorobenzamide.
Chemical Property Profile of N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide
Property Insights of N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide
The XLogP value of 3.0009 indicates that N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide 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 N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide?
The CAS number of N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide is 428447-17-0.
What is the molecular formula of N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide?
The molecular formula of N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide is C13H9ClFN3OS.
What is the molecular weight of N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide?
The molecular weight of N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide is 309.01 g/mol.
Where can I buy N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide?
You can request a quote for N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-chloropyridin-2-yl)carbamothioyl]-3-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.