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CAS 911835-76-2 (1S,2S,5R)-6,6-diMethyl-3-azabicyclo molecular structure lightbox
CAS RN: 911835-76-2

(1S,2S,5R)-6,6-diMethyl-3-azabicyclo

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 1g Out of stock 15 business days Inquiry
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Batchno.20250630 10g Out of stock Inquiry
  • Product code: starshine_CAS911835-76-2
  • Purity/Analytical Methods: >99.0%
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911835-76-2 / (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

Standard CAS: 911835-76-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
911835-76-2
Multi CAS
Yes
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
InChI
InChI=1S/C8H13NO2/c1-8(2)4-3-9-6(5(4)8)7(10)11/h4-6,9H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m0/s1
InChIKey
SSKYNJZREFFALT-ZLUOBGJFSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.19
TPSA
49.33

LogP / Solubility

WLOGP
0.31
MLOGP
0.27
XLogP3
-1.6
Consensus LogP
-0.34
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
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)
-3.44

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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