3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮
TL;DR: 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮 (CAS 18174-13-5) is a chemical compound with molecular formula C15H22O and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮
7,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-1-one
Also Known As: 7,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-1-one, 3,4,4a,5,8,8a-Hexahydro-7,8a-dimethyl-3-(1-methylvinyl)naphthalen-1(2H)-one, 7,8a-dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,8,8a-hexahydronaphthalen-1(2h)-one, 7.8ac-Dimethyl-3t-isopropenyl-, currency6-(4arH)-octalon-(1)
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 18174-13-5 |
|---|---|
| SMILES | CC1=CCC2CC(CC(=O)C2(C1)C)C(=C)C |
| InChIKey | VGHRNFJTQACVIZ-UHFFFAOYSA-N |
Product Overview
3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮 (CAS 18174-13-5), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: 7,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-1-one.
Chemical Property Profile of 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮
Property Insights of 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮
The XLogP value of 3.5 indicates that 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮 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 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮?
The CAS number of 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮 is 18174-13-5.
What is the molecular formula of 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮?
The molecular formula of 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮 is C15H22O.
What is the molecular weight of 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮?
The molecular weight of 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮 is 218.17 g/mol.
Where can I buy 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮?
You can request a quote for 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4a,5,8,8a-六氢-7,8a-二甲基-3-(1-甲基乙烯基)萘-1(2H)-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.