Withaferin A diacetate
TL;DR: Withaferin A diacetate (CAS 22848-79-9) is a chemical compound with molecular formula C32H42O8 and molecular weight 554.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-2-[(1S)-1-[(1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-acetyloxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate
Also Known As: Withaferin A diacetate, WITHAFERIN-A DIACETATE, 2-Phenoxyethyl carbonate(2:1), KST-1A2962, Ergosta-2,24-dien-26-oic acid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-
| Molecular Formula | C32H42O8 |
|---|---|
| Molecular Weight | 554.29 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.28796 |
| Heavy Atoms | 40 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 22848-79-9 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6OC(=O)C)C)O5)C)COC(=O)C |
| InChIKey | KKWMXUXYPBDQQX-GCFZBUCOSA-N |
Product Overview
Withaferin A diacetate (CAS 22848-79-9), with molecular formula C32H42O8 and molecular weight 554.29 g/mol. IUPAC: [(2S)-2-[(1S)-1-[(1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-acetyloxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate.
Chemical Property Profile of Withaferin A diacetate
Property Insights of Withaferin A diacetate
The XLogP value of 4.4 indicates that Withaferin A diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Withaferin A diacetate. Following Lipinski's Rule of Five, Withaferin A diacetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Withaferin A diacetate?
The CAS number of Withaferin A diacetate is 22848-79-9.
What is the molecular formula of Withaferin A diacetate?
The molecular formula of Withaferin A diacetate is C32H42O8.
What is the molecular weight of Withaferin A diacetate?
The molecular weight of Withaferin A diacetate is 554.29 g/mol.
Where can I buy Withaferin A diacetate?
You can request a quote for Withaferin A diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Withaferin A diacetate?
Yes, KEHONG BIO provides custom synthesis services for Withaferin A diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.