![(7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile structure](/static/products/372/372088-93-2.png)
(7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
TL;DR: (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile (CAS 372088-93-2) is a chemical compound with molecular formula C30H21ClN2OS and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
Also Known As: (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile, (7E)-7-benzylidene-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, (E)-7-benzylidene-2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C30H21ClN2OS |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 7.73548 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.10632 |
| Heavy Atoms | 35 |
| Complexity | 1456.7228 |
Chemical Identifiers
| CAS Number | 372088-93-2 |
|---|---|
| SMILES | C\1CC2=C(C(=C(N=C2/C1=C/C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Cl)C#N)C5=CC=CC=C5 |
Product Overview
(7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile (CAS 372088-93-2), with molecular formula C30H21ClN2OS and molecular weight 492.11 g/mol. IUPAC: (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
Property Insights of (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
The XLogP value of 7.73548 indicates that (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The CAS number of (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile is 372088-93-2.
What is the molecular formula of (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The molecular formula of (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile is C30H21ClN2OS.
What is the molecular weight of (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The molecular weight of (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile is 492.11 g/mol.
Where can I buy (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
You can request a quote for (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (7E)-7-benzylidene-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.