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CAS 5282-14-4 3β,11α-Dihydroxyoleana-12-ene molecular structure lightbox
CAS RN: 5282-14-4

3β,11α-Dihydroxyoleana-12-ene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS5282-14-4
  • Purity/Analytical Methods: >99.0%
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5282-14-4 / (3S,4aR,6aR,6bS,8aR,12aR,14R,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,14-diol

Standard CAS: 5282-14-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5282-14-4
Multi CAS
Yes
Molecular Formula
C30H50O2
Molecular Weight
442.700000
Exact Mass
442.381081
InChI
InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20-24,31-32H,9-16,18H2,1-8H3/t20-,21+,22-,23-,24+,27+,28-,29+,30+/m0/s1
InChIKey
UBUHIKQRNDOKCZ-JABDUKPASA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.93
H-bond acceptors
2
H-bond donors
2
Molar refractivity
132.11
TPSA
40.46

LogP / Solubility

WLOGP
7.14
MLOGP
6.31
XLogP3
8
Consensus LogP
7.15
Log S (ESOL)
-7.08
Class (ESOL)
Insoluble
Log S (Ali)
-8.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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