Withanolide D
TL;DR: Withanolide D (CAS 27920-64-5) is a chemical compound with molecular formula C28H38O5 and molecular weight 454.27 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]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Also Known As: Withanolide D, 4-Hydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione, 15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
| Molecular Formula | C28H38O5 |
|---|---|
| Molecular Weight | 454.27 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.2719 |
| Heavy Atoms | 33 |
| Complexity | 981.0 |
Chemical Identifiers
| CAS Number | 27920-64-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)C |
| InChIKey | HBFRBCZKKTVLPR-UHFFFAOYSA-N |
Product Overview
Withanolide D (CAS 27920-64-5), with molecular formula C28H38O5 and molecular weight 454.27 g/mol. IUPAC: 15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one.
Chemical Property Profile of Withanolide D
Property Insights of Withanolide D
The XLogP value of 4.5 indicates that Withanolide D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Withanolide D. Following Lipinski's Rule of Five, Withanolide D has 1 hydrogen bond donor(s) and 5 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 Withanolide D?
The CAS number of Withanolide D is 27920-64-5.
What is the molecular formula of Withanolide D?
The molecular formula of Withanolide D is C28H38O5.
What is the molecular weight of Withanolide D?
The molecular weight of Withanolide D is 454.27 g/mol.
Where can I buy Withanolide D?
You can request a quote for Withanolide D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Withanolide D?
Yes, KEHONG BIO provides custom synthesis services for Withanolide D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.