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CAS 1452398-07-0 Sahandol molecular structure lightbox
CAS RN: 1452398-07-0

Sahandol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250520 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1452398-07-0
  • Purity/Analytical Methods: >99.0%
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1452398-07-0 / (3R)-6-methyl-3-(2-methylprop-1-enyl)-11-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-12-ol

Standard CAS: 1452398-07-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1452398-07-0
Multi CAS
No
Molecular Formula
C20H24O2
Molecular Weight
296.400000
Exact Mass
296.177630
SMILES
CC1=C2C[C@@H](OC3=C2C(=CC(=C3O)C(C)C)C=C1)C=C(C)C
InChI
InChI=1S/C20H24O2/c1-11(2)8-15-10-17-13(5)6-7-14-9-16(12(3)4)19(21)20(22-15)18(14)17/h6-9,12,15,21H,10H2,1-5H3/t15-/m0/s1
InChIKey
YUJYBTHGJZXOKE-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
91.99
TPSA
29.46

LogP / Solubility

WLOGP
5.25
MLOGP
4.63
XLogP3
5.8
Consensus LogP
5.23
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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