[email protected]
CAS 87193-98-4 2-Deacetoxydecinnamoyltaxinine J molecular structure lightbox
CAS RN: 87193-98-4

2-Deacetoxydecinnamoyltaxinine J

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250828 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS87193-98-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

87193-98-4 / [(1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10-triacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate

Standard CAS: 87193-98-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87193-98-4
Multi CAS
Yes
Molecular Formula
C28H40O9
Molecular Weight
520.600000
Exact Mass
520.267233
InChI
InChI=1S/C28H40O9/c1-13-20-10-19-11-22(34-15(3)29)14(2)24(27(19,7)8)25(36-17(5)31)26(37-18(6)32)28(20,9)23(12-21(13)33)35-16(4)30/h19-23,25-26,33H,1,10-12H2,2-9H3/t19-,20-,21+,22+,23+,25-,26+,28+/m1/s1
InChIKey
WOKHREABHMWBBE-CNZAUHOSSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
1
Molar refractivity
132.78
TPSA
125.43

LogP / Solubility

WLOGP
3.42
MLOGP
3.05
XLogP3
2.2
Consensus LogP
2.89
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble

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)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us