ChemDiv3_002854
TL;DR: ChemDiv3_002854 (CAS 370576-92-4) is a chemical compound with molecular formula C19H19ClN2O2S2 and molecular weight 406.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(4-chlorophenyl)methylsulfonyl]ethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv3_002854, BAS 03395144, BRD-K61817053-001-01-2, 2-[2-[(4-chlorophenyl)methylsulfonyl]ethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-((2-((4-chlorobenzyl)sulfonyl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C19H19ClN2O2S2 |
|---|---|
| Molecular Weight | 406.06 g/mol |
| LogP | 4.19258 |
| Topological Polar Surface Area | 70.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.05765 |
| Heavy Atoms | 26 |
| Complexity | 935.2469 |
Chemical Identifiers
| CAS Number | 370576-92-4 |
|---|---|
| SMILES | C1CCC2=NC(=C(C=C2C1)C#N)SCCS(=O)(=O)CC3=CC=C(C=C3)Cl |
Product Overview
ChemDiv3_002854 (CAS 370576-92-4), with molecular formula C19H19ClN2O2S2 and molecular weight 406.06 g/mol. IUPAC: 2-[2-[(4-chlorophenyl)methylsulfonyl]ethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv3_002854
Property Insights of ChemDiv3_002854
The XLogP value of 4.19258 indicates that ChemDiv3_002854 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002854. Following Lipinski's Rule of Five, ChemDiv3_002854 has 0 hydrogen bond donor(s) and 5 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_002854?
The CAS number of ChemDiv3_002854 is 370576-92-4.
What is the molecular formula of ChemDiv3_002854?
The molecular formula of ChemDiv3_002854 is C19H19ClN2O2S2.
What is the molecular weight of ChemDiv3_002854?
The molecular weight of ChemDiv3_002854 is 406.06 g/mol.
Where can I buy ChemDiv3_002854?
You can request a quote for ChemDiv3_002854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002854?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.