3-hydroxy-2,3-dihydrowithanolide F
TL;DR: 3-hydroxy-2,3-dihydrowithanolide F (CAS 87168-24-9) is a chemical compound with molecular formula C28H40O7 and molecular weight 488.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(1S)-1-hydroxy-1-[(3R,8R,9S,10R,13S,14R,17R)-3,14,17-trihydroxy-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
Also Known As: 3-HDH-withanolide F, 3-Hydroxy-2,3-dihydrowithanolide F, 3beta-Hydroxy-2,3-dihydrowithanolide F, Withanolide F, 3-hydroxy-2,3-dihydro-, (2R)-2-[(1S)-1-hydroxy-1-[(3R,8R,9S,10R,13S,14R,17R)-3,14,17-trihydroxy-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
| Molecular Formula | C28H40O7 |
|---|---|
| Molecular Weight | 488.28 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 488.2774 |
| Heavy Atoms | 35 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 87168-24-9 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(C(=O)C[C@@H](C5)O)C)C)O)O)O)C |
| InChIKey | BQRGHHNBIPOTTJ-DVKLICRISA-N |
Product Overview
3-hydroxy-2,3-dihydrowithanolide F (CAS 87168-24-9), with molecular formula C28H40O7 and molecular weight 488.28 g/mol. IUPAC: (2R)-2-[(1S)-1-hydroxy-1-[(3R,8R,9S,10R,13S,14R,17R)-3,14,17-trihydroxy-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one.
Chemical Property Profile of 3-hydroxy-2,3-dihydrowithanolide F
Property Insights of 3-hydroxy-2,3-dihydrowithanolide F
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-2,3-dihydrowithanolide F. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-2,3-dihydrowithanolide F. Following Lipinski's Rule of Five, 3-hydroxy-2,3-dihydrowithanolide F has 4 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 3-hydroxy-2,3-dihydrowithanolide F?
The CAS number of 3-hydroxy-2,3-dihydrowithanolide F is 87168-24-9.
What is the molecular formula of 3-hydroxy-2,3-dihydrowithanolide F?
The molecular formula of 3-hydroxy-2,3-dihydrowithanolide F is C28H40O7.
What is the molecular weight of 3-hydroxy-2,3-dihydrowithanolide F?
The molecular weight of 3-hydroxy-2,3-dihydrowithanolide F is 488.28 g/mol.
Where can I buy 3-hydroxy-2,3-dihydrowithanolide F?
You can request a quote for 3-hydroxy-2,3-dihydrowithanolide F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy-2,3-dihydrowithanolide F?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-2,3-dihydrowithanolide F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.