2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl-
TL;DR: 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- (CAS 16887-29-9) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4a,8a-dimethyl-2-oxo-3,4,5,6,7,8-hexahydro-1H-naphthalen-1-yl) acetate
Also Known As: 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl-, 4a,8a-dimethyl-2-oxodecahydronaphthalen-1-yl acetate, (4a,8a-dimethyl-2-oxo-3,4,5,6,7,8-hexahydro-1H-naphthalen-1-yl) acetate
| Molecular Formula | C14H22O3 |
|---|---|
| Molecular Weight | 238.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.15689 |
| Heavy Atoms | 17 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 16887-29-9 |
|---|---|
| SMILES | CC(=O)OC1C(=O)CCC2(C1(CCCC2)C)C |
| InChIKey | FYMNQVWASHJANL-UHFFFAOYSA-N |
Product Overview
2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- (CAS 16887-29-9), with molecular formula C14H22O3 and molecular weight 238.16 g/mol. IUPAC: (4a,8a-dimethyl-2-oxo-3,4,5,6,7,8-hexahydro-1H-naphthalen-1-yl) acetate.
Chemical Property Profile of 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl-
Property Insights of 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl-
The XLogP value of 3.1 indicates that 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- has 0 hydrogen bond donor(s) and 3 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 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl-?
The CAS number of 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- is 16887-29-9.
What is the molecular formula of 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl-?
The molecular formula of 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- is C14H22O3.
What is the molecular weight of 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl-?
The molecular weight of 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- is 238.16 g/mol.
Where can I buy 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl-?
You can request a quote for 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.