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CAS 77658-46-9 ent-11,16-Epoxy-15-hydroxykauran-19-oic acid molecular structure lightbox
CAS RN: 77658-46-9

ent-11,16-Epoxy-15-hydroxykauran-19-oic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS77658-46-9
  • Purity/Analytical Methods: >99.0%
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77658-46-9 / (1R,4S,5R,9R,10S,11S,13R,14S)-16-hydroxy-5,9,13-trimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecane-5-carboxylic acid

Standard CAS: 77658-46-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77658-46-9
Multi CAS
Yes
Molecular Formula
C20H30O4
Molecular Weight
334.400000
Exact Mass
334.214409
InChI
InChI=1S/C20H30O4/c1-17-6-4-7-18(2,16(22)23)13(17)5-8-20-10-11-9-12(14(17)20)24-19(11,3)15(20)21/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12+,13+,14+,15?,17-,18-,19-,20-/m1/s1
InChIKey
RNEBMVMFRKVVMY-UDNQHPAZSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.95
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
88.36
TPSA
66.76

LogP / Solubility

WLOGP
3.22
MLOGP
2.85
XLogP3
3.1
Consensus LogP
3.06
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
10

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