A0564/0026074
TL;DR: A0564/0026074 (CAS 339583-40-3) 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.
2-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: A0564/0026074, 2-((4-(tert-butyl)benzyl)thio)-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-[(4-tert-butylbenzyl)sulfanyl]-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-4-PHENYL-5H,6H,7H-CYCLOPENTA[B]PYRIDINE-3-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 | 339583-40-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(CCC3)C(=C2C#N)C4=CC=CC=C4 |
Product Overview
A0564/0026074 (CAS 339583-40-3), with molecular formula C26H26N2S and molecular weight 398.18 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of A0564/0026074
Property Insights of A0564/0026074
The XLogP value of 6.69878 indicates that A0564/0026074 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, A0564/0026074 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A0564/0026074 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 A0564/0026074?
The CAS number of A0564/0026074 is 339583-40-3.
What is the molecular formula of A0564/0026074?
The molecular formula of A0564/0026074 is C26H26N2S.
What is the molecular weight of A0564/0026074?
The molecular weight of A0564/0026074 is 398.18 g/mol.
Where can I buy A0564/0026074?
You can request a quote for A0564/0026074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0564/0026074?
Yes, KEHONG BIO provides custom synthesis services for A0564/0026074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.