Withaferin A, dihydro-
TL;DR: Withaferin A, dihydro- (CAS 5589-41-3) is a chemical compound with molecular formula C28H40O6 and molecular weight 472.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
Also Known As: Dihydrowithaferin A, Withaferin A, dihydro-, DihydrowithaferinA, 2,3-Dihydrowithaferin-A, DIHYDROWITHAFERIN-A,3-
| Molecular Formula | C28H40O6 |
|---|---|
| Molecular Weight | 472.28 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.2825 |
| Heavy Atoms | 34 |
| Complexity | 957.0 |
Chemical Identifiers
| CAS Number | 5589-41-3 |
|---|---|
| SMILES | CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CCC6O)C)O5)C)CO |
| InChIKey | YRXCLNDPESBJHL-UHFFFAOYSA-N |
Product Overview
Withaferin A, dihydro- (CAS 5589-41-3), with molecular formula C28H40O6 and molecular weight 472.28 g/mol. IUPAC: 6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one.
Chemical Property Profile of Withaferin A, dihydro-
Property Insights of Withaferin A, dihydro-
The XLogP value of 3.8 indicates that Withaferin A, dihydro- 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 Withaferin A, dihydro-. Following Lipinski's Rule of Five, Withaferin A, dihydro- 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 Withaferin A, dihydro-?
The CAS number of Withaferin A, dihydro- is 5589-41-3.
What is the molecular formula of Withaferin A, dihydro-?
The molecular formula of Withaferin A, dihydro- is C28H40O6.
What is the molecular weight of Withaferin A, dihydro-?
The molecular weight of Withaferin A, dihydro- is 472.28 g/mol.
Where can I buy Withaferin A, dihydro-?
You can request a quote for Withaferin A, dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Withaferin A, dihydro-?
Yes, KEHONG BIO provides custom synthesis services for Withaferin A, dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.