![2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile structure](/static/products/4453/445384-84-9.webp)
2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
TL;DR: 2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (CAS 445384-84-9) is a chemical compound with molecular formula C19H20N2OS and molecular weight 324.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenoxyethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: 2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, AB00360050-04, 2-(2-phenoxyethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, AM-807/14958531, 2-((2-Phenoxyethyl)thio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
| Molecular Formula | C19H20N2OS |
|---|---|
| Molecular Weight | 324.13 g/mol |
| LogP | 4.39328 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.12964 |
| Heavy Atoms | 23 |
| Complexity | 694.50604 |
Chemical Identifiers
| CAS Number | 445384-84-9 |
|---|---|
| SMILES | C1CCC2=CC(=C(N=C2CC1)SCCOC3=CC=CC=C3)C#N |
Product Overview
2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (CAS 445384-84-9), with molecular formula C19H20N2OS and molecular weight 324.13 g/mol. IUPAC: 2-(2-phenoxyethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Property Insights of 2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
The XLogP value of 4.39328 indicates that 2-[(2-phenoxyethyl)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 45.91 Ų, 2-[(2-phenoxyethyl)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-[(2-phenoxyethyl)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-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The CAS number of 2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is 445384-84-9.
What is the molecular formula of 2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The molecular formula of 2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is C19H20N2OS.
What is the molecular weight of 2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The molecular weight of 2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is 324.13 g/mol.
Where can I buy 2-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
You can request a quote for 2-[(2-phenoxyethyl)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-[(2-phenoxyethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-phenoxyethyl)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.