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CAS 60129-65-9 (4R)-11β-Hydroxy-15-oxokaur-16-en-18-oic acid β-D-glucopyranosyl ester molecular structure lightbox
CAS RN: 60129-65-9

(4R)-11β-Hydroxy-15-oxokaur-16-en-18-oic acid β-D-glucopyranosyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250831 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS60129-65-9
  • Purity/Analytical Methods: >99.0%
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60129-65-9 / [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Standard CAS: 60129-65-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60129-65-9
Multi CAS
Yes
Molecular Formula
C26H38O9
Molecular Weight
494.600000
Exact Mass
494.251583
InChI
InChI=1S/C26H38O9/c1-12-13-9-14(28)20-24(2)6-4-7-25(3,16(24)5-8-26(20,10-13)21(12)32)23(33)35-22-19(31)18(30)17(29)15(11-27)34-22/h13-20,22,27-31H,1,4-11H2,2-3H3/t13-,14+,15-,16+,17-,18+,19-,20+,22+,24-,25-,26-/m1/s1
InChIKey
JSKLOHJUYDOADP-DQGZFUNPSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
5
Molar refractivity
121.45
TPSA
153.75

LogP / Solubility

WLOGP
0.45
MLOGP
0.43
XLogP3
1.3
Consensus LogP
0.73
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.42

Drug-likeness / Medicinal Chemistry

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

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