Withaphysalin A
TL;DR: Withaphysalin A (CAS 57423-72-0) is a chemical compound with molecular formula C28H34O6 and molecular weight 466.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5S,6R,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-15,18-diene-8,14-dione
Also Known As: Withaphysalin A, Withaphysalin D, (1R,2R,5S,6R,12S,13R)-6-[(2R)-4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-15,18-diene-8,14-dione, 14-Hydroxy-18,20:22,26-diepoxyergosta-2,5,24-triene-1,18,26-trione, (13xi,22R)-14-Hydroxy-17alpha-18,20:22,26-diepoxyergosta-2,5,24-triene-1,18,26-trione
| Molecular Formula | C28H34O6 |
|---|---|
| Molecular Weight | 466.24 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 466.23553 |
| Heavy Atoms | 34 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 57423-72-0 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@]2([C@H]3CC[C@@]4(C3(CC[C@H]5[C@H]4CC=C6[C@@]5(C(=O)C=CC6)C)C(=O)O2)O)C)C |
| InChIKey | XXDCTQHRVNTDTI-OZKLRMFXSA-N |
Product Overview
Withaphysalin A (CAS 57423-72-0), with molecular formula C28H34O6 and molecular weight 466.24 g/mol. IUPAC: (1R,2R,5S,6R,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-15,18-diene-8,14-dione.
Chemical Property Profile of Withaphysalin A
Property Insights of Withaphysalin A
The XLogP value of 3.0 indicates that Withaphysalin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Withaphysalin A. Following Lipinski's Rule of Five, Withaphysalin A has 1 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 Withaphysalin A?
The CAS number of Withaphysalin A is 57423-72-0.
What is the molecular formula of Withaphysalin A?
The molecular formula of Withaphysalin A is C28H34O6.
What is the molecular weight of Withaphysalin A?
The molecular weight of Withaphysalin A is 466.24 g/mol.
Where can I buy Withaphysalin A?
You can request a quote for Withaphysalin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Withaphysalin A?
Yes, KEHONG BIO provides custom synthesis services for Withaphysalin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.