ChemDiv3_002898
TL;DR: ChemDiv3_002898 (CAS 371209-69-7) is a chemical compound with molecular formula C22H26N2O2S2 and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv3_002898, BRD-K85306482-001-01-9, 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-((2-((4-(tert-butyl)phenyl)sulfonyl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-({2-[(4-tert-butylphenyl)sulfonyl]ethyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C22H26N2O2S2 |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 4.69558 |
| Topological Polar Surface Area | 70.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.1436 |
| Heavy Atoms | 28 |
| Complexity | 998.55786 |
Chemical Identifiers
| CAS Number | 371209-69-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=C3CCCCC3=N2)C#N |
Product Overview
ChemDiv3_002898 (CAS 371209-69-7), with molecular formula C22H26N2O2S2 and molecular weight 414.14 g/mol. IUPAC: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv3_002898
Property Insights of ChemDiv3_002898
The XLogP value of 4.69558 indicates that ChemDiv3_002898 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_002898. Following Lipinski's Rule of Five, ChemDiv3_002898 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_002898?
The CAS number of ChemDiv3_002898 is 371209-69-7.
What is the molecular formula of ChemDiv3_002898?
The molecular formula of ChemDiv3_002898 is C22H26N2O2S2.
What is the molecular weight of ChemDiv3_002898?
The molecular weight of ChemDiv3_002898 is 414.14 g/mol.
Where can I buy ChemDiv3_002898?
You can request a quote for ChemDiv3_002898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002898?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.