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CAS 58880-25-4 2alpha,19alpha,23-Trihydroxyoleanolic acid molecular structure lightbox
CAS RN: 58880-25-4

2alpha,19alpha,23-Trihydroxyoleanolic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS58880-25-4
  • Purity/Analytical Methods: >99.0%
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58880-25-4 / 1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Standard CAS: 58880-25-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
58880-25-4
Multi CAS
Yes
Molecular Formula
C30H48O6
Molecular Weight
504.700000
Exact Mass
504.345089
InChI
InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22+,23+,26+,27+,28-,29-,30+/m1/s1
InChIKey
IFIQVSCCFRXSJV-NWCCWSSZSA-N

Physical Properties

Melting Point
328 - 330 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
5
Molar refractivity
136.87
TPSA
118.22

LogP / Solubility

WLOGP
4.15
MLOGP
3.69
XLogP3
4.5
Consensus LogP
4.11
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

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)
-2.85

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

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