![2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile structure](/static/products/4453/445382-39-8.webp)
2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
TL;DR: 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 445382-39-8) is a chemical compound with molecular formula C18H18N2OS and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: BAS 06900588, 2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, AM-807/14146447, 2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-((3-methoxybenzyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C18H18N2OS |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.13298 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.11398 |
| Heavy Atoms | 22 |
| Complexity | 721.51245 |
Chemical Identifiers
| CAS Number | 445382-39-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=C(C=C3CCCCC3=N2)C#N |
Product Overview
2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 445382-39-8), with molecular formula C18H18N2OS and molecular weight 310.11 g/mol. IUPAC: 2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Property Insights of 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
The XLogP value of 4.13298 indicates that 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile 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-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile 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-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The CAS number of 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 445382-39-8.
What is the molecular formula of 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular formula of 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is C18H18N2OS.
What is the molecular weight of 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular weight of 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 310.11 g/mol.
Where can I buy 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
You can request a quote for 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.