CAS RN: 70324-38-8

“ent-15α-Acetoxy-11α-hydroxykaur-16-en-19-oic acid”

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Batchno.20250903 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS70324-38-8
  • Purity/Analytical Methods: >99.0%
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70324-38-8 / 15-acetyloxy-11-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Standard CAS: 70324-38-8 Multi CAS: Yes

Basic Information

CAS
70324-38-8
Multi CAS
Yes
Molecular Formula
C22H32O5
Molecular Weight
376.500000
Exact Mass
376.224974
InChI
InChI=1S/C22H32O5/c1-12-14-10-15(24)17-20(3)7-5-8-21(4,19(25)26)16(20)6-9-22(17,11-14)18(12)27-13(2)23/h14-18,24H,1,5-11H2,2-4H3,(H,25,26)
InChIKey
LJUASWOCOCOKSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
99.77
TPSA
83.83

LogP / Solubility

WLOGP
3.55
MLOGP
3.15
XLogP3
3.2
Consensus LogP
3.3
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble

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)
-2.49

Drug-likeness / Medicinal Chemistry

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

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