Calyenone
TL;DR: Calyenone (CAS 71641-12-8) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[2-(furan-3-yl)ethyl]-1,1,4a,6-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate
Also Known As: CALYENONE, [5-[2-(furan-3-yl)ethyl]-1,1,4a,6-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate, 5-[2-(Furan-3-yl)ethyl]-1,1,4a,6-tetramethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl acetate, 7-Acetoxy-4-[2- ethyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethylnaphthalen-2 -one, 7-Acetoxy-4-[2-(3-furyl)ethyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethylnaphthalen-2(1H)-one
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 71641-12-8 |
|---|---|
| SMILES | CC1=C(C2(CCC(C(C2CC1=O)(C)C)OC(=O)C)C)CCC3=COC=C3 |
| InChIKey | WDMYWPSUQZKSFN-UHFFFAOYSA-N |
Product Overview
Calyenone (CAS 71641-12-8), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: [5-[2-(furan-3-yl)ethyl]-1,1,4a,6-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate.
Chemical Property Profile of Calyenone
Property Insights of Calyenone
The XLogP value of 4.0 indicates that Calyenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, Calyenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calyenone has 0 hydrogen bond donor(s) and 4 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 Calyenone?
The CAS number of Calyenone is 71641-12-8.
What is the molecular formula of Calyenone?
The molecular formula of Calyenone is C22H30O4.
What is the molecular weight of Calyenone?
The molecular weight of Calyenone is 358.21 g/mol.
Where can I buy Calyenone?
You can request a quote for Calyenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calyenone?
Yes, KEHONG BIO provides custom synthesis services for Calyenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.