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CAS 1628196-25-7 N-{3-hydroxybicyclo[1.1.1]pentan-1-yl}-N-methylacetamide molecular structure lightbox
CAS RN: 1628196-25-7

N-{3-hydroxybicyclo[1.1.1]pentan-1-yl}-N-methylacetamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250315 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1628196-25-7
  • Purity/Analytical Methods: >99.0%
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1628196-25-7 / N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-N-methylacetamide

Standard CAS: 1628196-25-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1628196-25-7
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
SMILES
CC(=O)N(C)C12CC(C1)(C2)O
InChI
InChI=1S/C8H13NO2/c1-6(10)9(2)7-3-8(11,4-7)5-7/h11H,3-5H2,1-2H3
InChIKey
VVJZDRQLQLFOCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.98
TPSA
40.54

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
XLogP3
-0.6
Consensus LogP
-0.12
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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