[email protected]
CAS 22961-68-8 20-hydroxyecdysone 3-acetate,d molecular structure lightbox
CAS RN: 22961-68-8

20-hydroxyecdysone 3-acetate,d

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260526 5mg / 10mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 10mg Out of stock Inquiry
  • Product code: starshine_CAS22961-68-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

22961-68-8 / [(2S,3R,5R,9R,10R,13R,14S,17S)-2,14-dihydroxy-10,13-dimethyl-6-oxo-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Standard CAS: 22961-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22961-68-8
Multi CAS
No
Molecular Formula
C29H46O8
Molecular Weight
522.700000
Exact Mass
522.319268
SMILES
CC(=O)O[C@@H]1C[C@H]2C(=O)C=C3[C@@H]([C@]2(C[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@](C)([C@@H](CCC(C)(C)O)O)O)O)C
InChI
InChI=1S/C29H46O8/c1-16(30)37-22-14-19-20(31)13-18-17(26(19,4)15-21(22)32)7-11-27(5)23(8-12-29(18,27)36)28(6,35)24(33)9-10-25(2,3)34/h13,17,19,21-24,32-36H,7-12,14-15H2,1-6H3/t17-,19-,21-,22+,23-,24+,26+,27+,28+,29+/m0/s1
InChIKey
UWFCFVQTAHITKV-OQQOFWQASA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
5
Molar refractivity
136.15
TPSA
144.52

LogP / Solubility

WLOGP
2.42
MLOGP
2.17
XLogP3
1
Consensus LogP
1.86
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5

Customers Also Viewed

Get In Touch

Contact Us