Iso-alpha-ecdysone
TL;DR: Iso-alpha-ecdysone (CAS 7703-83-5) is a chemical compound with molecular formula C27H44O6 and molecular weight 464.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,5R,9R,10R,13R,17R)-17-[(2S,3S)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Also Known As: Iso-alpha-ecdysone, 22-Isoecdysone, 22-Iso-ecdysone, alpha-Ecdysone, Cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2-beta,3-beta,5-beta,22S)-
| Molecular Formula | C27H44O6 |
|---|---|
| Molecular Weight | 464.31 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.31378 |
| Heavy Atoms | 33 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 7703-83-5 |
|---|---|
| SMILES | C[C@@H]([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)[C@H](CCC(C)(C)O)O |
| InChIKey | UPEZCKBFRMILAV-ZIPBXQHXSA-N |
Product Overview
Iso-alpha-ecdysone (CAS 7703-83-5), with molecular formula C27H44O6 and molecular weight 464.31 g/mol. IUPAC: (2S,3R,5R,9R,10R,13R,17R)-17-[(2S,3S)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one.
Chemical Property Profile of Iso-alpha-ecdysone
Property Insights of Iso-alpha-ecdysone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iso-alpha-ecdysone. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Iso-alpha-ecdysone. Following Lipinski's Rule of Five, Iso-alpha-ecdysone has 5 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 Iso-alpha-ecdysone?
The CAS number of Iso-alpha-ecdysone is 7703-83-5.
What is the molecular formula of Iso-alpha-ecdysone?
The molecular formula of Iso-alpha-ecdysone is C27H44O6.
What is the molecular weight of Iso-alpha-ecdysone?
The molecular weight of Iso-alpha-ecdysone is 464.31 g/mol.
Where can I buy Iso-alpha-ecdysone?
You can request a quote for Iso-alpha-ecdysone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iso-alpha-ecdysone?
Yes, KEHONG BIO provides custom synthesis services for Iso-alpha-ecdysone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.