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CAS 57079-92-2 Isosativenediol molecular structure lightbox
CAS RN: 57079-92-2

Isosativenediol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS57079-92-2
  • Purity/Analytical Methods: >99.0%
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57079-92-2 / 7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol

Standard CAS: 57079-92-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57079-92-2
Multi CAS
Yes
Molecular Formula
C15H24O2
Molecular Weight
236.350000
Exact Mass
236.177630
InChI
InChI=1S/C15H24O2/c1-7(2)9-5-6-15(4)8(3)10-13(16)11(9)12(15)14(10)17/h7,9-14,16-17H,3,5-6H2,1-2,4H3/t9-,10+,11+,12-,13-,14-,15+/m1/s1
InChIKey
JKWAVUHQXGRTII-AYECITQQSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.29
TPSA
40.46

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
2.6
Consensus LogP
2.25
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-2.59

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
7

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