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CAS 190848-36-3 N-[(1S,2S)-2-hydroxycyclohexyl]- AcetaMide molecular structure lightbox
CAS RN: 190848-36-3

N-[(1S,2S)-2-hydroxycyclohexyl]- AcetaMide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250204 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS190848-36-3
  • Purity/Analytical Methods: >99.0%
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190848-36-3 / N-[(1S,2S)-2-hydroxycyclohexyl]acetamide

Standard CAS: 190848-36-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190848-36-3
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
CC(=O)N[C@H]1CCCC[C@@H]1O
InChI
InChI=1S/C8H15NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h7-8,11H,2-5H2,1H3,(H,9,10)/t7-,8-/m0/s1
InChIKey
AGGYRMQIIFNGRR-YUMQZZPRSA-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
42.08
TPSA
49.33

LogP / Solubility

WLOGP
0.43
MLOGP
0.37
XLogP3
0.2
Consensus LogP
0.33
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-3.38

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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