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CAS 51774-43-7 3-Chloro-N-Methyl-N-phenylbenzaMide molecular structure lightbox
CAS RN: 51774-43-7

3-Chloro-N-Methyl-N-phenylbenzaMide

  • Product code: SSC-158723
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51774-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

51774-43-7 / 3-chloro-N-methyl-N-phenylbenzamide

Standard CAS: 51774-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51774-43-7
Multi CAS
No
Molecular Formula
C14H12CLNO
Molecular Weight
245.700000
Exact Mass
245.060742
InChI
InChI=1S/C14H12ClNO/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(15)10-11/h2-10H,1H3
InChIKey
KFGDZDHOKBKEJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
70.63
TPSA
20.31

LogP / Solubility

WLOGP
3.62
MLOGP
3.19
XLogP3
3
Consensus LogP
3.27
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly 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)
-1.65

Drug-likeness / Medicinal Chemistry

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

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