Cadina-4,10(15)-dien-3-one
TL;DR: Cadina-4,10(15)-dien-3-one (CAS 39765-72-5) 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.
(4aS,5S,8aS)-3-methyl-8-methylidene-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
Also Known As: Cadina-4,10(15)-dien-3-one, (4aS,5S,8aS)-3-methyl-8-methylidene-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one, 3-Methyl-8-methylidene-5-(propan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one, 5-isopropyl-3-methyl-8-methylene-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one, (4aS,5S,8aS)-3-Methyl-8-methylidene-5-(propan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 3.4 |
| 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 | 348.0 |
Chemical Identifiers
| CAS Number | 39765-72-5 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@@H](CCC(=C)[C@H]2CC1=O)C(C)C |
| InChIKey | QUTSKAAVYUOEQA-BFHYXJOUSA-N |
Product Overview
Cadina-4,10(15)-dien-3-one (CAS 39765-72-5), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: (4aS,5S,8aS)-3-methyl-8-methylidene-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one.
Chemical Property Profile of Cadina-4,10(15)-dien-3-one
Property Insights of Cadina-4,10(15)-dien-3-one
The XLogP value of 3.4 indicates that Cadina-4,10(15)-dien-3-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, Cadina-4,10(15)-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cadina-4,10(15)-dien-3-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 Cadina-4,10(15)-dien-3-one?
The CAS number of Cadina-4,10(15)-dien-3-one is 39765-72-5.
What is the molecular formula of Cadina-4,10(15)-dien-3-one?
The molecular formula of Cadina-4,10(15)-dien-3-one is C15H22O.
What is the molecular weight of Cadina-4,10(15)-dien-3-one?
The molecular weight of Cadina-4,10(15)-dien-3-one is 218.17 g/mol.
Where can I buy Cadina-4,10(15)-dien-3-one?
You can request a quote for Cadina-4,10(15)-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cadina-4,10(15)-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for Cadina-4,10(15)-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.