3-Dehydroecdysone
TL;DR: 3-Dehydroecdysone (CAS 52289-06-2) is a chemical compound with molecular formula C27H42O6 and molecular weight 462.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,9R,10R,13R,17R)-17-[(2S)-3,6-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione
Also Known As: 3-Dehydroecdysone, KST-1A5291, (2, A,5, A,14xi)-2,14,22,25-tetrahydroxycholest-7-ene-3,6-dione
| Molecular Formula | C27H42O6 |
|---|---|
| Molecular Weight | 462.30 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.29813 |
| Heavy Atoms | 33 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 52289-06-2 |
|---|---|
| SMILES | C[C@@H]([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H](C(=O)C4)O)C)C)O)C(CCC(C)(C)O)O |
| InChIKey | GDSSFVCRVUQMRG-LXTJYKKISA-N |
Product Overview
3-Dehydroecdysone (CAS 52289-06-2), with molecular formula C27H42O6 and molecular weight 462.30 g/mol. IUPAC: (2S,5R,9R,10R,13R,17R)-17-[(2S)-3,6-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione.
Chemical Property Profile of 3-Dehydroecdysone
Property Insights of 3-Dehydroecdysone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dehydroecdysone. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Dehydroecdysone. Following Lipinski's Rule of Five, 3-Dehydroecdysone has 4 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 3-Dehydroecdysone?
The CAS number of 3-Dehydroecdysone is 52289-06-2.
What is the molecular formula of 3-Dehydroecdysone?
The molecular formula of 3-Dehydroecdysone is C27H42O6.
What is the molecular weight of 3-Dehydroecdysone?
The molecular weight of 3-Dehydroecdysone is 462.30 g/mol.
Where can I buy 3-Dehydroecdysone?
You can request a quote for 3-Dehydroecdysone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dehydroecdysone?
Yes, KEHONG BIO provides custom synthesis services for 3-Dehydroecdysone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.