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CAS 7527-65-3 1-(cyclohexylamino)-2-methylpropan-2-ol molecular structure lightbox
CAS RN: 7527-65-3

1-(cyclohexylamino)-2-methylpropan-2-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS7527-65-3
  • Purity/Analytical Methods: >99.0%
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7527-65-3 / 1-(cyclohexylamino)-2-methylpropan-2-ol

Standard CAS: 7527-65-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7527-65-3
Multi CAS
Yes
Molecular Formula
C10H21NO
Molecular Weight
171.280000
Exact Mass
171.162314
InChI
InChI=1S/C10H21NO/c1-10(2,12)8-11-9-6-4-3-5-7-9/h9,11-12H,3-8H2,1-2H3
InChIKey
SMQTUNOWAHMDHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.17
TPSA
32.26

LogP / Solubility

WLOGP
1.68
MLOGP
1.47
XLogP3
1.5
Consensus LogP
1.55
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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