1,4a-Dimethyloctahydronaphthalen-2(1h)-one
TL;DR: 1,4a-Dimethyloctahydronaphthalen-2(1h)-one (CAS 74473-37-3) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4a-dimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
Also Known As: 11-cis-Retinol Discontinued, 1,4a-dimethyloctahydronaphthalen-2(1h)-one, KST-1B1881, 1,4a-dimethyl-decahydronaphthalen-2-one, 1,4a-Dimethyl-octahydro-naphthalen-2-one
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 74473-37-3 |
|---|---|
| SMILES | CC1C2CCCCC2(CCC1=O)C |
| InChIKey | QRVYMYQHRABGQW-UHFFFAOYSA-N |
Product Overview
1,4a-Dimethyloctahydronaphthalen-2(1h)-one (CAS 74473-37-3), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 1,4a-dimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one.
Chemical Property Profile of 1,4a-Dimethyloctahydronaphthalen-2(1h)-one
Property Insights of 1,4a-Dimethyloctahydronaphthalen-2(1h)-one
The XLogP value of 3.5 indicates that 1,4a-Dimethyloctahydronaphthalen-2(1h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,4a-Dimethyloctahydronaphthalen-2(1h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4a-Dimethyloctahydronaphthalen-2(1h)-one 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 1,4a-Dimethyloctahydronaphthalen-2(1h)-one?
The CAS number of 1,4a-Dimethyloctahydronaphthalen-2(1h)-one is 74473-37-3.
What is the molecular formula of 1,4a-Dimethyloctahydronaphthalen-2(1h)-one?
The molecular formula of 1,4a-Dimethyloctahydronaphthalen-2(1h)-one is C12H20O.
What is the molecular weight of 1,4a-Dimethyloctahydronaphthalen-2(1h)-one?
The molecular weight of 1,4a-Dimethyloctahydronaphthalen-2(1h)-one is 180.15 g/mol.
Where can I buy 1,4a-Dimethyloctahydronaphthalen-2(1h)-one?
You can request a quote for 1,4a-Dimethyloctahydronaphthalen-2(1h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4a-Dimethyloctahydronaphthalen-2(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4a-Dimethyloctahydronaphthalen-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.