8a-Methyloctahydro-2(1H)-naphthalenone
TL;DR: 8a-Methyloctahydro-2(1H)-naphthalenone (CAS 91253-93-9) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
Also Known As: cis-10-methyl-2-decalone, 2(1H)-Naphthalenone, cis-, 8a-Methyloctahydro-2(1H)-naphthalenone, 10-Methylbicyclo[4.4.0]decan-2-on, 8a-methyloctahydronaphthalen-2(1H)-one
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 91253-93-9 |
|---|---|
| SMILES | CC12CCCCC1CCC(=O)C2 |
| InChIKey | IDMWZWSMOJZNAC-UHFFFAOYSA-N |
Product Overview
8a-Methyloctahydro-2(1H)-naphthalenone (CAS 91253-93-9), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 8a-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one.
Chemical Property Profile of 8a-Methyloctahydro-2(1H)-naphthalenone
Property Insights of 8a-Methyloctahydro-2(1H)-naphthalenone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8a-Methyloctahydro-2(1H)-naphthalenone. With a topological polar surface area (TPSA) of 17.1 Ų, 8a-Methyloctahydro-2(1H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8a-Methyloctahydro-2(1H)-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 8a-Methyloctahydro-2(1H)-naphthalenone?
The CAS number of 8a-Methyloctahydro-2(1H)-naphthalenone is 91253-93-9.
What is the molecular formula of 8a-Methyloctahydro-2(1H)-naphthalenone?
The molecular formula of 8a-Methyloctahydro-2(1H)-naphthalenone is C11H18O.
What is the molecular weight of 8a-Methyloctahydro-2(1H)-naphthalenone?
The molecular weight of 8a-Methyloctahydro-2(1H)-naphthalenone is 166.14 g/mol.
Where can I buy 8a-Methyloctahydro-2(1H)-naphthalenone?
You can request a quote for 8a-Methyloctahydro-2(1H)-naphthalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8a-Methyloctahydro-2(1H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for 8a-Methyloctahydro-2(1H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.