[email protected]
CAS 92214-54-5 12-O-Tiglylphorbol-13 -isobutyrate molecular structure lightbox
CAS RN: 92214-54-5

12-O-Tiglylphorbol-13 -isobutyrate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250818 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS92214-54-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

92214-54-5 / [1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate

Standard CAS: 92214-54-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92214-54-5
Multi CAS
Yes
Molecular Formula
C29H40O8
Molecular Weight
516.600000
Exact Mass
516.272318
InChI
InChI=1S/C29H40O8/c1-9-15(4)25(33)36-23-17(6)28(35)19(21-26(7,8)29(21,23)37-24(32)14(2)3)11-18(13-30)12-27(34)20(28)10-16(5)22(27)31/h9-11,14,17,19-21,23,30,34-35H,12-13H2,1-8H3/b15-9+/t17-,19+,20-,21-,23-,27-,28-,29-/m1/s1
InChIKey
MVWXLRYZCZSBKW-RXYGMQKRSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.69
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
134.84
TPSA
130.36

LogP / Solubility

WLOGP
2.65
MLOGP
2.37
XLogP3
2.5
Consensus LogP
2.51
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
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)
-3.99

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
8.5

Customers Also Viewed

Get In Touch

Contact Us