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CAS 827599-22-4 endo-3-Azabicyclo[3.1.0]hexane-6-methanol molecular structure lightbox
CAS RN: 827599-22-4

endo-3-Azabicyclo[3.1.0]hexane-6-methanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260423 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS827599-22-4
  • Purity/Analytical Methods: >99.0%
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827599-22-4 / 3-azabicyclo[3.1.0]hexan-6-ylmethanol

Standard CAS: 827599-22-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
827599-22-4
Multi CAS
Yes
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
InChI
InChI=1S/C6H11NO/c8-3-6-4-1-7-2-5(4)6/h4-8H,1-3H2/t4-,5+,6?
InChIKey
YGYOQZPGFXHQMW-XEAPYIEGSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.43
TPSA
32.26

LogP / Solubility

WLOGP
-0.56
MLOGP
-0.5
XLogP3
-0.6
Consensus LogP
-0.55
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-0.09
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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