Bionet1_004638
TL;DR: Bionet1_004638 (CAS 439096-58-9) is a chemical compound with molecular formula C26H26N2S and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-1-(4-tert-butylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: Bionet1_004638, 3-(benzylsulfanyl)-1-[4-(tert-butyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-(benzylsulfanyl)-1-(4-tert-butylphenyl)-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile, 2T-0311, 3-benzylsulfanyl-1-(4-tert-butylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
| Molecular Formula | C26H26N2S |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 6.69878 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.18167 |
| Heavy Atoms | 29 |
| Complexity | 1055.093 |
Chemical Identifiers
| CAS Number | 439096-58-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(C3=C2CCC3)C#N)SCC4=CC=CC=C4 |
Product Overview
Bionet1_004638 (CAS 439096-58-9), with molecular formula C26H26N2S and molecular weight 398.18 g/mol. IUPAC: 3-benzylsulfanyl-1-(4-tert-butylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of Bionet1_004638
Property Insights of Bionet1_004638
The XLogP value of 6.69878 indicates that Bionet1_004638 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, Bionet1_004638 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004638 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_004638?
The CAS number of Bionet1_004638 is 439096-58-9.
What is the molecular formula of Bionet1_004638?
The molecular formula of Bionet1_004638 is C26H26N2S.
What is the molecular weight of Bionet1_004638?
The molecular weight of Bionet1_004638 is 398.18 g/mol.
Where can I buy Bionet1_004638?
You can request a quote for Bionet1_004638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004638?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.