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CAS 168286-10-0 (1R,2R,3S,5R)-3-Amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol molecular structure lightbox
CAS RN: 168286-10-0

(1R,2R,3S,5R)-3-Amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250210 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS168286-10-0
  • Purity/Analytical Methods: >99.0%
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168286-10-0 / (1R,2R,3S,5R)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

Standard CAS: 168286-10-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168286-10-0
Multi CAS
No
Molecular Formula
C10H19NO
Molecular Weight
169.260000
Exact Mass
169.146664
SMILES
C[C@]1([C@@H]2C[C@@H](C2(C)C)C[C@@H]1N)O
InChI
InChI=1S/C10H19NO/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,12H,4-5,11H2,1-3H3/t6-,7-,8+,10-/m1/s1
InChIKey
LGVDAZQPWJBBGX-BDNRQGISSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.59
TPSA
46.25

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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