[email protected]
CAS 554449-27-3 8beta-(4-Hydroxytigloyloxy)ovatifolin molecular structure lightbox
CAS RN: 554449-27-3

8beta-(4-Hydroxytigloyloxy)ovatifolin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS554449-27-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

554449-27-3 / [(3aR,4R,6E,10E,11aR)-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate

Standard CAS: 554449-27-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
554449-27-3
Multi CAS
Yes
Molecular Formula
C22H28O7
Molecular Weight
404.500000
Exact Mass
404.183503
InChI
InChI=1S/C22H28O7/c1-13-6-5-7-17(12-27-16(4)24)11-19(28-21(25)14(2)8-9-23)20-15(3)22(26)29-18(20)10-13/h7-8,10,18-20,23H,3,5-6,9,11-12H2,1-2,4H3/b13-10+,14-8+,17-7+/t18-,19-,20+/m1/s1
InChIKey
ZICYDDNYYSMLNV-YPFVXQNWSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
105.56
TPSA
99.13

LogP / Solubility

WLOGP
2.55
MLOGP
2.27
XLogP3
1.7
Consensus LogP
2.17
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us