CAS RN: 35030-38-7

ent-17-Hydroxykaur-15-en-19-oic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260423 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS35030-38-7
  • Purity/Analytical Methods: >99.0%
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35030-38-7 / (1S,4S,5R,9S,10S,13S)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid

Standard CAS: 35030-38-7 Multi CAS: Yes

Basic Information

CAS
35030-38-7
Multi CAS
Yes
Molecular Formula
C20H30O3
Molecular Weight
318.400000
Exact Mass
318.219495
InChI
InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16-,18+,19+,20-/m0/s1
InChIKey
XEQHVCXFKPCQNM-LEUKZYDJSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
88.86
TPSA
57.53

LogP / Solubility

WLOGP
4.01
MLOGP
3.55
XLogP3
4.2
Consensus LogP
3.92
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
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
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

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
9

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