Withanolide E
TL;DR: Withanolide E (CAS 38254-15-8) is a chemical compound with molecular formula C28H38O7 and molecular weight 486.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,7S,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Also Known As: WITHANOLIDE E, Witnanolide E, 2-Propenoic acid,2-methyl-,2-(ethylamino)ethyl ester, Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-14,17,20,22-tetrahy, 14,17,20-Trihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
| Molecular Formula | C28H38O7 |
|---|---|
| Molecular Weight | 486.26 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 486.26175 |
| Heavy Atoms | 35 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 38254-15-8 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=CC6)C)O5)C)O)O)O)C |
| InChIKey | RUVPNJSJTWTANE-LFCBYZEKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Withanolide E (CAS 38254-15-8), with molecular formula C28H38O7 and molecular weight 486.26 g/mol. IUPAC: (1S,2R,7S,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one.
Chemical Property Profile of Withanolide E
Property Insights of Withanolide E
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Withanolide E. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Withanolide E. Following Lipinski's Rule of Five, Withanolide E has 3 hydrogen bond donor(s) and 7 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 E?
The CAS number of Withanolide E is 38254-15-8.
What is the molecular formula of Withanolide E?
The molecular formula of Withanolide E is C28H38O7.
What is the molecular weight of Withanolide E?
The molecular weight of Withanolide E is 486.26 g/mol.
Where can I buy Withanolide E?
You can request a quote for Withanolide E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Withanolide E?
Yes, KEHONG BIO provides custom synthesis services for Withanolide E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.