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CAS 34131-99-2 Decatol molecular structure lightbox
CAS RN: 34131-99-2

Decatol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251230 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS34131-99-2
  • Purity/Analytical Methods: >99.0%
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34131-99-2 / 6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

Standard CAS: 34131-99-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34131-99-2
Multi CAS
Yes
Molecular Formula
C13H24O
Molecular Weight
196.330000
Exact Mass
196.182715
InChI
InChI=1S/C13H24O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-14H,3-8H2,1-2H3
InChIKey
JBMLIVNFPGPRCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.02
TPSA
20.23

LogP / Solubility

WLOGP
3.22
MLOGP
2.83
XLogP3
4
Consensus LogP
3.35
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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