(3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate
TL;DR: (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate (CAS 314773-27-8) is a chemical compound with molecular formula C16H26O2 and molecular weight 250.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl acetate
Also Known As: BAS 00293600, (3,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate, (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydro-2-naphthalenyl)methyl acetate, (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydro-2-naphthalenyl)methyl acetate #, (3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl acetate
| Molecular Formula | C16H26O2 |
|---|---|
| Molecular Weight | 250.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.19328 |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 314773-27-8 |
|---|---|
| SMILES | CC1CC2=C(CC1COC(=O)C)C(CCC2)(C)C |
| InChIKey | MTMDZEWVBCJJHT-UHFFFAOYSA-N |
Product Overview
(3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate (CAS 314773-27-8), with molecular formula C16H26O2 and molecular weight 250.19 g/mol. IUPAC: (3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl acetate.
Chemical Property Profile of (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate
Property Insights of (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate
The XLogP value of 3.7 indicates that (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl 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, (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl 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 (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate?
The CAS number of (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate is 314773-27-8.
What is the molecular formula of (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate?
The molecular formula of (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate is C16H26O2.
What is the molecular weight of (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate?
The molecular weight of (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate is 250.19 g/mol.
Where can I buy (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate?
You can request a quote for (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.