4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
TL;DR: 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide (CAS 429653-01-0) is a chemical compound with molecular formula C20H17N3OS and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
Also Known As: BAS 03236567, 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide, AB00111787-01, N-[(pyridin-3-ylmethyl)carbamothioyl]biphenyl-4-carboxamide, 1-(Biphenyl-4-carbonyl)-3-pyridin-3-ylmethyl-thiourea
| Molecular Formula | C20H17N3OS |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 3.5531 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.10922 |
| Heavy Atoms | 25 |
| Complexity | 849.12933 |
Chemical Identifiers
| CAS Number | 429653-01-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NCC3=CN=CC=C3 |
Product Overview
4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide (CAS 429653-01-0), with molecular formula C20H17N3OS and molecular weight 347.11 g/mol. IUPAC: 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide.
Chemical Property Profile of 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
Property Insights of 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
The XLogP value of 3.5531 indicates that 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)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 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The CAS number of 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is 429653-01-0.
What is the molecular formula of 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The molecular formula of 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is C20H17N3OS.
What is the molecular weight of 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The molecular weight of 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is 347.11 g/mol.
Where can I buy 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
You can request a quote for 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.