5beta-Ketodiol (ecdysone)
TL;DR: 5beta-Ketodiol (ecdysone) (CAS 39219-57-3) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,9R,10R,13R,17R)-3,14-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Also Known As: 5beta-Ketodiol (ecdysone), 2,22,25-Trideoxyecdysone, 3,14-Dihydroxycholest-7-en-6-one, 3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one, Cholest-7-en-6-one, 3,14-dihydroxy-, (3beta,5beta)-
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.6826 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 710.8967 |
Chemical Identifiers
| CAS Number | 39219-57-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(CC[C@@H](C4)O)C)C)O |
Product Overview
5beta-Ketodiol (ecdysone) (CAS 39219-57-3), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: (3S,5R,9R,10R,13R,17R)-3,14-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one.
Chemical Property Profile of 5beta-Ketodiol (ecdysone)
Property Insights of 5beta-Ketodiol (ecdysone)
The XLogP value of 5.6826 indicates that 5beta-Ketodiol (ecdysone) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 5beta-Ketodiol (ecdysone) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5beta-Ketodiol (ecdysone) has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5beta-Ketodiol (ecdysone)?
The CAS number of 5beta-Ketodiol (ecdysone) is 39219-57-3.
What is the molecular formula of 5beta-Ketodiol (ecdysone)?
The molecular formula of 5beta-Ketodiol (ecdysone) is C27H44O3.
What is the molecular weight of 5beta-Ketodiol (ecdysone)?
The molecular weight of 5beta-Ketodiol (ecdysone) is 416.33 g/mol.
Where can I buy 5beta-Ketodiol (ecdysone)?
You can request a quote for 5beta-Ketodiol (ecdysone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5beta-Ketodiol (ecdysone)?
Yes, KEHONG BIO provides custom synthesis services for 5beta-Ketodiol (ecdysone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.