1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl-
TL;DR: 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl- (CAS 77644-38-3) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
Also Known As: 4a,8a-dimethyl-octahydro-naphthalen-2-one, 4a,8a-dimethyloctahydronaphthalen-2(1h)-one, 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl-, 4a,8a-Dimethyloctahydro-2(1H)-naphthalenone #, 4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 77644-38-3 |
|---|---|
| SMILES | CC12CCCCC1(CC(=O)CC2)C |
| InChIKey | CUUZZZQYSLHVPL-UHFFFAOYSA-N |
Product Overview
1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl- (CAS 77644-38-3), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one.
Chemical Property Profile of 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl-
Property Insights of 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl-
The XLogP value of 3.3 indicates that 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl- 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 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl-?
The CAS number of 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl- is 77644-38-3.
What is the molecular formula of 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl-?
The molecular formula of 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl- is C12H20O.
What is the molecular weight of 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl-?
The molecular weight of 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl- is 180.15 g/mol.
Where can I buy 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl-?
You can request a quote for 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-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 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Naphthalen-2-one, 3,4,5,6,7,8-hexahydro-4a,8a-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.