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CAS 51488-87-0 N-(2-chloro-5-methoxyphenyl)acetamide molecular structure lightbox
CAS RN: 51488-87-0

N-(2-chloro-5-methoxyphenyl)acetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS51488-87-0
  • Purity/Analytical Methods: >99.0%
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51488-87-0 / N-(2-chloro-5-methoxyphenyl)acetamide

Standard CAS: 51488-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51488-87-0
Multi CAS
No
Molecular Formula
C9H10CLNO2
Molecular Weight
199.630000
Exact Mass
199.040006
InChI
InChI=1S/C9H10ClNO2/c1-6(12)11-9-5-7(13-2)3-4-8(9)10/h3-5H,1-2H3,(H,11,12)
InChIKey
HQQWOFSQIIPRJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.31
TPSA
38.33

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
1.5
Consensus LogP
1.95
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2.3

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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