4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one
TL;DR: 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one (CAS 97752-23-3) is a chemical compound with molecular formula C15H24O and molecular weight 220.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
Also Known As: 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one, 3,8-dimethyl-5-(propan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-2(1h)-one, 4a,5,6,7,8,8a-hexahydro-3,8-dimethyl-5- naphthalen-2 -one, 5-Isopropyl-3,8-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one, 3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.18271 |
| Heavy Atoms | 16 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 97752-23-3 |
|---|---|
| SMILES | CC1CCC(C2C1CC(=O)C(=C2)C)C(C)C |
| InChIKey | UYEHLXVLWLCOHY-UHFFFAOYSA-N |
Product Overview
4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one (CAS 97752-23-3), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: 3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one.
Chemical Property Profile of 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one
Property Insights of 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one
The XLogP value of 4.2 indicates that 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-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, 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-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 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one?
The CAS number of 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one is 97752-23-3.
What is the molecular formula of 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one?
The molecular formula of 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one is C15H24O.
What is the molecular weight of 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one?
The molecular weight of 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one is 220.18 g/mol.
Where can I buy 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one?
You can request a quote for 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4a,5,6,7,8,8a-Hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.