A1182/0054737
TL;DR: A1182/0054737 (CAS 296771-37-4) is a chemical compound with molecular formula C25H19N3OS and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-6-phenyl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonitrile
Also Known As: A1182/0054737, 4-(4-methoxyphenyl)-6-phenyl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonitrile, 4-(4-methoxyphenyl)-6-phenyl-2-((pyridin-4-ylmethyl)thio)nicotinonitrile, 4-(4-methoxyphenyl)-6-phenyl-2-(4-pyridylmethylthio)pyridine-3-carbonitrile, 4-(4-methoxyphenyl)-6-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]pyridine-3-carbonitrile
| Molecular Formula | C25H19N3OS |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 5.98318 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.12488 |
| Heavy Atoms | 30 |
| Complexity | 1170.9287 |
Chemical Identifiers
| CAS Number | 296771-37-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=NC=C3)C4=CC=CC=C4 |
Product Overview
A1182/0054737 (CAS 296771-37-4), with molecular formula C25H19N3OS and molecular weight 409.12 g/mol. IUPAC: 4-(4-methoxyphenyl)-6-phenyl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonitrile.
Chemical Property Profile of A1182/0054737
Property Insights of A1182/0054737
The XLogP value of 5.98318 indicates that A1182/0054737 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, A1182/0054737 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1182/0054737 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1182/0054737?
The CAS number of A1182/0054737 is 296771-37-4.
What is the molecular formula of A1182/0054737?
The molecular formula of A1182/0054737 is C25H19N3OS.
What is the molecular weight of A1182/0054737?
The molecular weight of A1182/0054737 is 409.12 g/mol.
Where can I buy A1182/0054737?
You can request a quote for A1182/0054737 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1182/0054737?
Yes, KEHONG BIO provides custom synthesis services for A1182/0054737 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.