![9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one structure](/static/products/4051/40514-78-1.webp)
9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one
TL;DR: 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one (CAS 40514-78-1) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9a-methyl-2,3,4,7,8,9-hexahydro-1H-benzo[7]annulen-6-one
Also Known As: 9a-methyl-2,3,4,7,8,9-hexahydro-1H-benzo[7]annulen-6-one, 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one, 1,2,3,4,7,8,9,9a-Octahydro-9a-methyl-6H-benzocyclohepten-6-on
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 40514-78-1 |
|---|---|
| SMILES | CC12CCCCC1=CC(=O)CCC2 |
| InChIKey | SQMNBJSTOPFIKL-UHFFFAOYSA-N |
Product Overview
9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one (CAS 40514-78-1), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 9a-methyl-2,3,4,7,8,9-hexahydro-1H-benzo[7]annulen-6-one.
Chemical Property Profile of 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one
Property Insights of 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one
The XLogP value of 3.0 indicates that 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-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, 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-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 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one?
The CAS number of 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one is 40514-78-1.
What is the molecular formula of 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one?
The molecular formula of 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one is C12H18O.
What is the molecular weight of 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one?
The molecular weight of 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one is 178.14 g/mol.
Where can I buy 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one?
You can request a quote for 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one?
Yes, KEHONG BIO provides custom synthesis services for 9a-Methyl-1,2,3,4,7,8,9,9a-octahydro-6H-benzo[7]annulen-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.