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CAS 353257-75-7 1-(3-Chloro-quinoxalin-2-yl)-piperidin-3-ol, 98+% C13H14ClN3O, MW: 263.72 molecular structure lightbox
CAS RN: 353257-75-7

1-(3-Chloro-quinoxalin-2-yl)-piperidin-3-ol, 98+% C13H14ClN3O, MW: 263.72

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251119 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS353257-75-7
  • Purity/Analytical Methods: >99.0%
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353257-75-7 / 1-(3-chloroquinoxalin-2-yl)piperidin-3-ol

Standard CAS: 353257-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
353257-75-7
Multi CAS
No
Molecular Formula
C13H14CLN3O
Molecular Weight
263.720000
Exact Mass
263.082540
InChI
InChI=1S/C13H14ClN3O/c14-12-13(17-7-3-4-9(18)8-17)16-11-6-2-1-5-10(11)15-12/h1-2,5-6,9,18H,3-4,7-8H2
InChIKey
JHEDHBXWDSHMBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72
TPSA
49.25

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2.5
Consensus LogP
2.24
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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