4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate
TL;DR: 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate (CAS 51174-53-9) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl) acetate
Also Known As: 4a-methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate, (4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl) acetate, 4a-Methyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl acetate #, Acetic acid, 4a-methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl ester, RefChem:296722
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 51174-53-9 |
|---|---|
| SMILES | CC(=O)OC1CCC2(CCCCC2=C1)C |
| InChIKey | BICPHIIHGNNJJR-UHFFFAOYSA-N |
Product Overview
4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate (CAS 51174-53-9), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: (4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl) acetate.
Chemical Property Profile of 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate
Property Insights of 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate
The XLogP value of 3.1 indicates that 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate has 0 hydrogen bond donor(s) and 2 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-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate?
The CAS number of 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate is 51174-53-9.
What is the molecular formula of 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate?
The molecular formula of 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate is C13H20O2.
What is the molecular weight of 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate?
The molecular weight of 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate is 208.15 g/mol.
Where can I buy 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate?
You can request a quote for 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4a-Methyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.