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CAS 832-89-3 2-chloro-n-naphthalen-1-yl-acetamide molecular structure lightbox
CAS RN: 832-89-3

2-chloro-n-naphthalen-1-yl-acetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS832-89-3
  • Purity/Analytical Methods: >99.0%
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832-89-3 / 2-chloro-N-naphthalen-1-ylacetamide

Standard CAS: 832-89-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
832-89-3
Multi CAS
Yes
Molecular Formula
C12H10CLNO
Molecular Weight
219.660000
Exact Mass
219.045092
InChI
InChI=1S/C12H10ClNO/c13-8-12(15)14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,15)
InChIKey
CVRUANQADYCNLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.3
TPSA
29.1

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
2.3
Consensus LogP
2.66
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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