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CAS 35001-19-5 4alpha,6alpha-Dihydroxyeudesm-11(13)-en-12,8beta-olide molecular structure lightbox
CAS RN: 35001-19-5

4alpha,6alpha-Dihydroxyeudesm-11(13)-en-12,8beta-olide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS35001-19-5
  • Purity/Analytical Methods: >99.0%
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35001-19-5 / (3aS,4S,4aS,5R,8aR,9aR)-4,5-dihydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one

Standard CAS: 35001-19-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35001-19-5
Multi CAS
Yes
Molecular Formula
C15H22O4
Molecular Weight
266.330000
Exact Mass
266.151809
InChI
InChI=1S/C15H22O4/c1-8-10-9(19-13(8)17)7-14(2)5-4-6-15(3,18)12(14)11(10)16/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10-,11+,12-,14-,15-/m1/s1
InChIKey
UHIDZLOHKIJPTQ-QSYFAPPXSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.21
TPSA
66.76

LogP / Solubility

WLOGP
1.41
MLOGP
1.25
XLogP3
1.6
Consensus LogP
1.42
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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