A0564/0026073
TL;DR: A0564/0026073 (CAS 329213-29-8) is a chemical compound with molecular formula C24H20N2O2S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
Also Known As: A0564/0026073, benzyl [(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate, benzyl 2-((3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate, BENZYL 2-({3-CYANO-4-PHENYL-5H,6H,7H-CYCLOPENTA[B]PYRIDIN-2-YL}SULFANYL)ACETATE, benzyl 2-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
| Molecular Formula | C24H20N2O2S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 4.94448 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.12454 |
| Heavy Atoms | 29 |
| Complexity | 1059.7339 |
Chemical Identifiers
| CAS Number | 329213-29-8 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C3=CC=CC=C3)C#N)SCC(=O)OCC4=CC=CC=C4 |
Product Overview
A0564/0026073 (CAS 329213-29-8), with molecular formula C24H20N2O2S and molecular weight 400.12 g/mol. IUPAC: benzyl 2-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate.
Chemical Property Profile of A0564/0026073
Property Insights of A0564/0026073
The XLogP value of 4.94448 indicates that A0564/0026073 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for A0564/0026073. Following Lipinski's Rule of Five, A0564/0026073 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 A0564/0026073?
The CAS number of A0564/0026073 is 329213-29-8.
What is the molecular formula of A0564/0026073?
The molecular formula of A0564/0026073 is C24H20N2O2S.
What is the molecular weight of A0564/0026073?
The molecular weight of A0564/0026073 is 400.12 g/mol.
Where can I buy A0564/0026073?
You can request a quote for A0564/0026073 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0564/0026073?
Yes, KEHONG BIO provides custom synthesis services for A0564/0026073 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.