4a-Methyloctahydronaphthalen-2(1H)-one
TL;DR: 4a-Methyloctahydronaphthalen-2(1H)-one (CAS 938-07-8) 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.
4a-methyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
Also Known As: 9-Methyl-trans-decalone, 10-Methyl-trans-2-decalone, 2(1H)-Naphthalenone, trans-, ghl.PD_Mitscher_leg0.1252, 4a-methyl-octahydro-naphthalen-2-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 | 938-07-8 |
|---|---|
| SMILES | CC12CCCCC1CC(=O)CC2 |
| InChIKey | QAFCUHJMKAQBFU-UHFFFAOYSA-N |
Product Overview
4a-Methyloctahydronaphthalen-2(1H)-one (CAS 938-07-8), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 4a-methyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one.
Chemical Property Profile of 4a-Methyloctahydronaphthalen-2(1H)-one
Property Insights of 4a-Methyloctahydronaphthalen-2(1H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a-Methyloctahydronaphthalen-2(1H)-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4a-Methyloctahydronaphthalen-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-Methyloctahydronaphthalen-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 4a-Methyloctahydronaphthalen-2(1H)-one?
The CAS number of 4a-Methyloctahydronaphthalen-2(1H)-one is 938-07-8.
What is the molecular formula of 4a-Methyloctahydronaphthalen-2(1H)-one?
The molecular formula of 4a-Methyloctahydronaphthalen-2(1H)-one is C11H18O.
What is the molecular weight of 4a-Methyloctahydronaphthalen-2(1H)-one?
The molecular weight of 4a-Methyloctahydronaphthalen-2(1H)-one is 166.14 g/mol.
Where can I buy 4a-Methyloctahydronaphthalen-2(1H)-one?
You can request a quote for 4a-Methyloctahydronaphthalen-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 4a-Methyloctahydronaphthalen-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4a-Methyloctahydronaphthalen-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.