withanone
TL;DR: withanone (CAS 27570-38-3) is a chemical compound with molecular formula C28H38O6 and molecular weight 470.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5,15-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
Also Known As: withanone, (22R)-5alpha,17alpha-Dihydroxy-6alpha,7alpha:22,26-diepoxyergosta-2,24-diene-1,26-dione, (1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,15-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one, 15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5,15-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
| Molecular Formula | C28H38O6 |
|---|---|
| Molecular Weight | 470.27 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 470.26685 |
| Heavy Atoms | 34 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 27570-38-3 |
|---|---|
| SMILES | CC1=C(C(=O)OC(C1)C(C)C2(CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)O)C |
| InChIKey | FAZIYUIDUNHZRG-UHFFFAOYSA-N |
Product Overview
withanone (CAS 27570-38-3), with molecular formula C28H38O6 and molecular weight 470.27 g/mol. IUPAC: 15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5,15-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one.
Chemical Property Profile of withanone
Property Insights of withanone
The XLogP value of 3.1 indicates that withanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for withanone. Following Lipinski's Rule of Five, withanone has 2 hydrogen bond donor(s) and 6 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 withanone?
The CAS number of withanone is 27570-38-3.
What is the molecular formula of withanone?
The molecular formula of withanone is C28H38O6.
What is the molecular weight of withanone?
The molecular weight of withanone is 470.27 g/mol.
Where can I buy withanone?
You can request a quote for withanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for withanone?
Yes, KEHONG BIO provides custom synthesis services for withanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.