rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone
TL;DR: rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone (CAS 21370-71-8) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
Also Known As: trans-1-Decalone, trans-2,3-octalin, trans-Bicyclo(4.4.0)decan-1-one, starbld0016699, trans-1-Decalone, 98%
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 21370-71-8 |
|---|---|
| SMILES | C1CC[C@H]2[C@H](C1)CCCC2=O |
| InChIKey | AFEFRXAPJRCTOW-BDAKNGLRSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone (CAS 21370-71-8), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one.
Chemical Property Profile of rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone
Property Insights of rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone. With a topological polar surface area (TPSA) of 17.1 Ų, rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone 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 rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone?
The CAS number of rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone is 21370-71-8.
What is the molecular formula of rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone?
The molecular formula of rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone is C10H16O.
What is the molecular weight of rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone?
The molecular weight of rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone is 152.12 g/mol.
Where can I buy rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone?
You can request a quote for rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for rel-(4aR,8aS)-Octahydro-1(2H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.