![2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile structure](/static/products/4453/445384-16-7.webp)
2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
TL;DR: 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (CAS 445384-16-7) is a chemical compound with molecular formula C21H22N2OS and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-4-phenylbutyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, AM-807/14957095, 2-(4-oxo-4-phenylbutyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-[(4-oxo-4-phenylbutyl)sulfanyl]-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile
| Molecular Formula | C21H22N2OS |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 4.97738 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.1453 |
| Heavy Atoms | 25 |
| Complexity | 780.4733 |
Chemical Identifiers
| CAS Number | 445384-16-7 |
|---|---|
| SMILES | C1CCC2=CC(=C(N=C2CC1)SCCCC(=O)C3=CC=CC=C3)C#N |
Product Overview
2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (CAS 445384-16-7), with molecular formula C21H22N2OS and molecular weight 350.15 g/mol. IUPAC: 2-(4-oxo-4-phenylbutyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Property Insights of 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
The XLogP value of 4.97738 indicates that 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[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, 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 4 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 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The CAS number of 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is 445384-16-7.
What is the molecular formula of 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The molecular formula of 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is C21H22N2OS.
What is the molecular weight of 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The molecular weight of 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is 350.15 g/mol.
Where can I buy 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
You can request a quote for 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[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 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.