Withafastuosin E
TL;DR: Withafastuosin E (CAS 160954-07-4) 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-[(1R)-1-[(5R,6R,10R,13S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
Also Known As: Withafastuosin E, NCI60_029453, (2R)-2-[(1R)-1-[(5R,6R,10R,13S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one, 5,6,21,27-Tetrahydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione, Ergosta-2, 5,6,21,22,27-pentahydroxy-1-oxo-, .delta.-lactone, (5.alpha.,6.beta.,22R)-
| Molecular Formula | C28H40O7 |
|---|---|
| Molecular Weight | 488.28 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.2774 |
| Heavy Atoms | 35 |
| Complexity | 970.0 |
Chemical Identifiers
| CAS Number | 160954-07-4 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@@H](CO)[C@H]2CCC3[C@@]2(CCC4C3C[C@H]([C@@]5([C@@]4(C(=O)C=CC5)C)O)O)C)CO |
| InChIKey | UCOUIXCKSZUAKU-UGEBWOCTSA-N |
Product Overview
Withafastuosin E (CAS 160954-07-4), with molecular formula C28H40O7 and molecular weight 488.28 g/mol. IUPAC: (2R)-2-[(1R)-1-[(5R,6R,10R,13S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one.
Chemical Property Profile of Withafastuosin E
Property Insights of Withafastuosin E
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Withafastuosin E. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Withafastuosin E. Following Lipinski's Rule of Five, Withafastuosin E 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 Withafastuosin E?
The CAS number of Withafastuosin E is 160954-07-4.
What is the molecular formula of Withafastuosin E?
The molecular formula of Withafastuosin E is C28H40O7.
What is the molecular weight of Withafastuosin E?
The molecular weight of Withafastuosin E is 488.28 g/mol.
Where can I buy Withafastuosin E?
You can request a quote for Withafastuosin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Withafastuosin E?
Yes, KEHONG BIO provides custom synthesis services for Withafastuosin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.