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CAS 35001-23-1 10beta-Hydroxycadina-4,11(13)-dien-12,8beta-olide molecular structure lightbox
CAS RN: 35001-23-1

10beta-Hydroxycadina-4,11(13)-dien-12,8beta-olide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS35001-23-1
  • Purity/Analytical Methods: >99.0%
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35001-23-1 / (3aR,5S,5aS,9aR,9bR)-5-hydroxy-5,8-dimethyl-1-methylidene-4,5a,6,7,9a,9b-hexahydro-3aH-benzo[e][1]benzofuran-2-one

Standard CAS: 35001-23-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35001-23-1
Multi CAS
Yes
Molecular Formula
C15H20O3
Molecular Weight
248.320000
Exact Mass
248.141245
InChI
InChI=1S/C15H20O3/c1-8-4-5-11-10(6-8)13-9(2)14(16)18-12(13)7-15(11,3)17/h6,10-13,17H,2,4-5,7H2,1,3H3/t10-,11-,12+,13-,15-/m0/s1
InChIKey
MPWMGHNTZVPCPO-AIUMHDJVSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.67
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.72
TPSA
46.53

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
1.8
Consensus LogP
1.99
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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