(4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol
TL;DR: (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol (CAS 5173-70-6) is a chemical compound with molecular formula C12H22O and molecular weight 182.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,4aR,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
Also Known As: GEOSMIN, KST-1A5381, -octahydro-4,8a-dimethyl-4a -naphthol, (4s,4ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol, trans-1,10-Dimethyl-trans-9-decalol
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 5173-70-6 |
|---|---|
| SMILES | C[C@H]1CCC[C@@]2([C@]1(CCCC2)O)C |
| InChIKey | JLPUXFOGCDVKGO-QJPTWQEYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol (CAS 5173-70-6), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: (4S,4aR,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol.
Chemical Property Profile of (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol
Property Insights of (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol
The XLogP value of 3.3 indicates that (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol has 1 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 (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol?
The CAS number of (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol is 5173-70-6.
What is the molecular formula of (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol?
The molecular formula of (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol is C12H22O.
What is the molecular weight of (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol?
The molecular weight of (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol is 182.17 g/mol.
Where can I buy (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol?
You can request a quote for (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol?
Yes, KEHONG BIO provides custom synthesis services for (4s,4Ar,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.