蜕皮酮
TL;DR: 蜕皮酮 (CAS 3604-87-3) 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.
蜕皮酮
(2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-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: ECDYSONE, alpha-Ecdysone, Molting Hormone, -Ecdysone, ?-Ecdysone
| 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 | 3604-87-3 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@]2([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-JMZLNJERSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
蜕皮酮 (CAS 3604-87-3), with molecular formula C27H44O6 and molecular weight 464.31 g/mol. IUPAC: (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-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 蜕皮酮
Property Insights of 蜕皮酮
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蜕皮酮. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 蜕皮酮. Following Lipinski's Rule of Five, 蜕皮酮 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 蜕皮酮?
The CAS number of 蜕皮酮 is 3604-87-3.
What is the molecular formula of 蜕皮酮?
The molecular formula of 蜕皮酮 is C27H44O6.
What is the molecular weight of 蜕皮酮?
The molecular weight of 蜕皮酮 is 464.31 g/mol.
Where can I buy 蜕皮酮?
You can request a quote for 蜕皮酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蜕皮酮?
Yes, KEHONG BIO provides custom synthesis services for 蜕皮酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.