1,2,3,4,4a,5,6,8a-Octahydro-naphthalene
TL;DR: 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene (CAS 4276-46-4) is a chemical compound with molecular formula C10H16 and molecular weight 136.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,4a,5,6,8a-octahydronaphthalene
Also Known As: dehydrodecaline, delta1-Octalin, delta3-Octalin, bicyclo[4.4.0]-2-decene, bicyclo[4.4.0]deca-2-ene
| Molecular Formula | C10H16 |
|---|---|
| Molecular Weight | 136.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.1252 |
| Heavy Atoms | 10 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 4276-46-4 |
|---|---|
| SMILES | C1CCC2C=CCCC2C1 |
| InChIKey | FYHNWJNOEQBNGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4,4a,5,6,8a-Octahydro-naphthalene (CAS 4276-46-4), with molecular formula C10H16 and molecular weight 136.13 g/mol. IUPAC: 1,2,3,4,4a,5,6,8a-octahydronaphthalene.
Chemical Property Profile of 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene
Property Insights of 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene
The XLogP value of 3.9 indicates that 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene has 0 hydrogen bond donor(s) and 0 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 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene?
The CAS number of 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene is 4276-46-4.
What is the molecular formula of 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene?
The molecular formula of 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene is C10H16.
What is the molecular weight of 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene?
The molecular weight of 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene is 136.13 g/mol.
Where can I buy 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene?
You can request a quote for 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.