3,4,5,6,7,8-Hexahydro-1(2H)-azulenone
TL;DR: 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone (CAS 769-32-4) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6,7,8-hexahydro-2H-azulen-1-one
Also Known As: 3,4,5,6,7,8-Hexahydroazulen-1(2H)-one, 3,4,5,6,7,8-hexahydro-2H-azulen-1-one, 3,4,5,6,7,8-hexahydro-1(2H)-azulenone, 1,2,3,4,5,6,7,8-octahydroazulen-1-one, 1(2H)-Azulenone,3,4,5,6,7,8-hexahydro-
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 769-32-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)C(=O)CC2 |
| InChIKey | YOKZDALFYWMEHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5,6,7,8-Hexahydro-1(2H)-azulenone (CAS 769-32-4), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 3,4,5,6,7,8-hexahydro-2H-azulen-1-one.
Chemical Property Profile of 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone
Property Insights of 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone. With a topological polar surface area (TPSA) of 17.1 Ų, 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone has 0 hydrogen bond donor(s) and 1 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 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone?
The CAS number of 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone is 769-32-4.
What is the molecular formula of 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone?
The molecular formula of 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone is C10H14O.
What is the molecular weight of 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone?
The molecular weight of 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone is 150.10 g/mol.
Where can I buy 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone?
You can request a quote for 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6,7,8-Hexahydro-1(2H)-azulenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.