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CAS 2958-76-1 Naphthalene,decahydro-2-methyl- molecular structure lightbox
CAS RN: 2958-76-1

Naphthalene,decahydro-2-methyl-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2958-76-1
  • Purity/Analytical Methods: >99.0%
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2958-76-1 / 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

Standard CAS: 2958-76-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2958-76-1
Multi CAS
Yes
Molecular Formula
C11H20
Molecular Weight
152.280000
Exact Mass
152.156501
InChI
InChI=1S/C11H20/c1-9-6-7-10-4-2-3-5-11(10)8-9/h9-11H,2-8H2,1H3
InChIKey
GREARFRXIFVLGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Molar refractivity
48.46
TPSA
0.0000

LogP / Solubility

WLOGP
3.61
MLOGP
3.17
XLogP3
4.9
Consensus LogP
3.89
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-1.08

Drug-likeness / Medicinal Chemistry

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

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