ChemDiv3_003328
TL;DR: ChemDiv3_003328 (CAS 488796-31-2) is a chemical compound with molecular formula C21H24N2OS and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: ChemDiv3_003328, IDI1_021238, BRD-A13003005-001-01-9, 2-(ethylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-(ethylthio)-4-(4-isopropylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C21H24N2OS |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 4.99218 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.16095 |
| Heavy Atoms | 25 |
| Complexity | 781.10925 |
Chemical Identifiers
| CAS Number | 488796-31-2 |
|---|---|
| SMILES | CCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C#N |
Product Overview
ChemDiv3_003328 (CAS 488796-31-2), with molecular formula C21H24N2OS and molecular weight 352.16 g/mol. IUPAC: 2-ethylsulfanyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv3_003328
Property Insights of ChemDiv3_003328
The XLogP value of 4.99218 indicates that ChemDiv3_003328 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, ChemDiv3_003328 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003328 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 ChemDiv3_003328?
The CAS number of ChemDiv3_003328 is 488796-31-2.
What is the molecular formula of ChemDiv3_003328?
The molecular formula of ChemDiv3_003328 is C21H24N2OS.
What is the molecular weight of ChemDiv3_003328?
The molecular weight of ChemDiv3_003328 is 352.16 g/mol.
Where can I buy ChemDiv3_003328?
You can request a quote for ChemDiv3_003328 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003328?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003328 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.