J2.645.857I
TL;DR: J2.645.857I (CAS 312604-12-9) is a chemical compound with molecular formula C17H16N2OS and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxyphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: J2.645.857I, 4-(4-hydroxyphenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-(Methylthio)-4-(4-hydroxyphenyl)-5,6-butano-3-pyridinecarbonitrile, 4-(4-hydroxyphenyl)-2-(methylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-methylsulfanyl-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 312604-12-9 |
|---|---|
| SMILES | CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)O |
| InChIKey | KXDAZZNECWGRCM-UHFFFAOYSA-N |
Product Overview
J2.645.857I (CAS 312604-12-9), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: 4-(4-hydroxyphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of J2.645.857I
Property Insights of J2.645.857I
The XLogP value of 3.9 indicates that J2.645.857I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.645.857I. Following Lipinski's Rule of Five, J2.645.857I has 1 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 J2.645.857I?
The CAS number of J2.645.857I is 312604-12-9.
What is the molecular formula of J2.645.857I?
The molecular formula of J2.645.857I is C17H16N2OS.
What is the molecular weight of J2.645.857I?
The molecular weight of J2.645.857I is 296.10 g/mol.
Where can I buy J2.645.857I?
You can request a quote for J2.645.857I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.645.857I?
Yes, KEHONG BIO provides custom synthesis services for J2.645.857I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.