[email protected]
CAS 3604-87-3 Ecdysone molecular structure lightbox
CAS RN: 3604-87-3

Ecdysone

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250103 1mg Out of stock Inquiry
Batchno.20250907 5mg Out of stock Inquiry
  • Product code: starshine_CAS3604-87-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3604-87-3 / (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

Standard CAS: 3604-87-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3604-87-3
Multi CAS
Yes
Molecular Formula
C27H44O6
Molecular Weight
464.600000
Exact Mass
464.313789
InChI
InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1
InChIKey
UPEZCKBFRMILAV-JMZLNJERSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
5
Molar refractivity
125.14
TPSA
118.22

LogP / Solubility

WLOGP
2.74
MLOGP
2.44
XLogP3
1.7
Consensus LogP
2.29
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

Customers Also Viewed

Get In Touch

Contact Us