8A-Cyano-2-decalone ethylene ketal
TL;DR: 8A-Cyano-2-decalone ethylene ketal (CAS 6787-81-1) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-carbonitrile
Also Known As: 8A-CYANO-2-DECALONE ETHYLENE KETAL, AE-641/00410060, DL-9-CYANO-2,2-ETHYLENEDIOXY-TRANS-DECALIN, 4a(2H)-cyano-octahydrospiro[naphthalene-3,2'-(1,3)-dioxolane], octahydro-1'H-spiro[1,3-dioxolane-2,2'-naphthalene]-8'a-carbonitrile
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 6787-81-1 |
|---|---|
| SMILES | C1CCC2(CC3(CCC2C1)OCCO3)C#N |
| InChIKey | XDZWVZVEAHGFPL-UHFFFAOYSA-N |
Product Overview
8A-Cyano-2-decalone ethylene ketal (CAS 6787-81-1), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-carbonitrile.
Chemical Property Profile of 8A-Cyano-2-decalone ethylene ketal
Property Insights of 8A-Cyano-2-decalone ethylene ketal
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8A-Cyano-2-decalone ethylene ketal. With a topological polar surface area (TPSA) of 42.3 Ų, 8A-Cyano-2-decalone ethylene ketal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8A-Cyano-2-decalone ethylene ketal has 0 hydrogen bond donor(s) and 3 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 8A-Cyano-2-decalone ethylene ketal?
The CAS number of 8A-Cyano-2-decalone ethylene ketal is 6787-81-1.
What is the molecular formula of 8A-Cyano-2-decalone ethylene ketal?
The molecular formula of 8A-Cyano-2-decalone ethylene ketal is C13H19NO2.
What is the molecular weight of 8A-Cyano-2-decalone ethylene ketal?
The molecular weight of 8A-Cyano-2-decalone ethylene ketal is 221.14 g/mol.
Where can I buy 8A-Cyano-2-decalone ethylene ketal?
You can request a quote for 8A-Cyano-2-decalone ethylene ketal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8A-Cyano-2-decalone ethylene ketal?
Yes, KEHONG BIO provides custom synthesis services for 8A-Cyano-2-decalone ethylene ketal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.