N-(benzylcarbamothioyl)pyridine-3-carboxamide
TL;DR: N-(benzylcarbamothioyl)pyridine-3-carboxamide (CAS 307331-18-6) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzylcarbamothioyl)pyridine-3-carboxamide
Also Known As: N-nicotinoyl-N'-(benzyl)thiourea, BAS 00227241, N-(benzylcarbamothioyl)nicotinamide, N-(benzylcarbamothioyl)pyridine-3-carboxamide, 1-Benzyl-3-(pyridine-3-carbonyl)-thiourea
| Molecular Formula | C14H13N3OS |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 1.8861 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.07794 |
| Heavy Atoms | 19 |
| Complexity | 557.41846 |
Chemical Identifiers
| CAS Number | 307331-18-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CN=CC=C2 |
Product Overview
N-(benzylcarbamothioyl)pyridine-3-carboxamide (CAS 307331-18-6), with molecular formula C14H13N3OS and molecular weight 271.08 g/mol. IUPAC: N-(benzylcarbamothioyl)pyridine-3-carboxamide.
Chemical Property Profile of N-(benzylcarbamothioyl)pyridine-3-carboxamide
Property Insights of N-(benzylcarbamothioyl)pyridine-3-carboxamide
The XLogP value of 1.8861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzylcarbamothioyl)pyridine-3-carboxamide. With a topological polar surface area (TPSA) of 54.02 Ų, N-(benzylcarbamothioyl)pyridine-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzylcarbamothioyl)pyridine-3-carboxamide 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-(benzylcarbamothioyl)pyridine-3-carboxamide?
The CAS number of N-(benzylcarbamothioyl)pyridine-3-carboxamide is 307331-18-6.
What is the molecular formula of N-(benzylcarbamothioyl)pyridine-3-carboxamide?
The molecular formula of N-(benzylcarbamothioyl)pyridine-3-carboxamide is C14H13N3OS.
What is the molecular weight of N-(benzylcarbamothioyl)pyridine-3-carboxamide?
The molecular weight of N-(benzylcarbamothioyl)pyridine-3-carboxamide is 271.08 g/mol.
Where can I buy N-(benzylcarbamothioyl)pyridine-3-carboxamide?
You can request a quote for N-(benzylcarbamothioyl)pyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzylcarbamothioyl)pyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzylcarbamothioyl)pyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.