A1168/0054384
TL;DR: A1168/0054384 (CAS 311333-20-7) is a chemical compound with molecular formula C33H24N2O2S and molecular weight 512.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-6-phenylpyridine-3-carbonitrile
Also Known As: A1168/0054384, 2-[(2-biphenyl-4-yl-2-oxoethyl)thio]-4-(4-methoxyphenyl)-6-phenylnicotinonitrile, 2-((2-([1,1'-biphenyl]-4-yl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile, 2-[(2-{[1,1'-BIPHENYL]-4-YL}-2-OXOETHYL)SULFANYL]-4-(4-METHOXYPHENYL)-6-PHENYLPYRIDINE-3-CARBONITRILE, 2-{[2-(biphenyl-4-yl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
| Molecular Formula | C33H24N2O2S |
|---|---|
| Molecular Weight | 512.16 g/mol |
| LogP | 7.93788 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.1558 |
| Heavy Atoms | 38 |
| Complexity | 1592.2898 |
Chemical Identifiers
| CAS Number | 311333-20-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
A1168/0054384 (CAS 311333-20-7), with molecular formula C33H24N2O2S and molecular weight 512.16 g/mol. IUPAC: 4-(4-methoxyphenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of A1168/0054384
Property Insights of A1168/0054384
The XLogP value of 7.93788 indicates that A1168/0054384 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for A1168/0054384. Following Lipinski's Rule of Five, A1168/0054384 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 A1168/0054384?
The CAS number of A1168/0054384 is 311333-20-7.
What is the molecular formula of A1168/0054384?
The molecular formula of A1168/0054384 is C33H24N2O2S.
What is the molecular weight of A1168/0054384?
The molecular weight of A1168/0054384 is 512.16 g/mol.
Where can I buy A1168/0054384?
You can request a quote for A1168/0054384 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1168/0054384?
Yes, KEHONG BIO provides custom synthesis services for A1168/0054384 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.