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CAS 78710-36-8 2-CHLORO-N-(2-METHYLBENZYL)ACETAMIDE molecular structure lightbox
CAS RN: 78710-36-8

2-CHLORO-N-(2-METHYLBENZYL)ACETAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS78710-36-8
  • Purity/Analytical Methods: >99.0%
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78710-36-8 / 2-chloro-N-[(2-methylphenyl)methyl]acetamide

Standard CAS: 78710-36-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78710-36-8
Multi CAS
No
Molecular Formula
C10H12CLNO
Molecular Weight
197.660000
Exact Mass
197.060742
InChI
InChI=1S/C10H12ClNO/c1-8-4-2-3-5-9(8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
CLEDDHAOOOPHJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.75
TPSA
29.1

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
2
Consensus LogP
1.83
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-2.61

Drug-likeness / Medicinal Chemistry

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

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