Chamaecynone
TL;DR: Chamaecynone (CAS 109897-91-8) is a chemical compound with molecular formula C14H18O and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4aS,7R,8aR)-7-ethynyl-1,4a-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
Also Known As: Chamaecynone, Chamecynone, (-)-Chamaecynone, KST-1A0514, (1s,4as,7r,8ar)-7-ethynyl-1,4a-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1h)-one
| Molecular Formula | C14H18O |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.13577 |
| Heavy Atoms | 15 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 109897-91-8 |
|---|---|
| SMILES | C[C@H]1[C@H]2C[C@@H](CC[C@]2(C=CC1=O)C)C#C |
| InChIKey | WLJJVPSVSROSLC-SFTQSGBHSA-N |
Product Overview
Chamaecynone (CAS 109897-91-8), with molecular formula C14H18O and molecular weight 202.14 g/mol. IUPAC: (1S,4aS,7R,8aR)-7-ethynyl-1,4a-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one.
Chemical Property Profile of Chamaecynone
Property Insights of Chamaecynone
The XLogP value of 3.5 indicates that Chamaecynone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Chamaecynone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chamaecynone 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 Chamaecynone?
The CAS number of Chamaecynone is 109897-91-8.
What is the molecular formula of Chamaecynone?
The molecular formula of Chamaecynone is C14H18O.
What is the molecular weight of Chamaecynone?
The molecular weight of Chamaecynone is 202.14 g/mol.
Where can I buy Chamaecynone?
You can request a quote for Chamaecynone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chamaecynone?
Yes, KEHONG BIO provides custom synthesis services for Chamaecynone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.