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CAS 312923-12-9 N-(2-Benzoyl-4-chlorophenyl)-3,4-difluorobenzaMide molecular structure lightbox
CAS RN: 312923-12-9

N-(2-Benzoyl-4-chlorophenyl)-3,4-difluorobenzaMide

  • Product code: SSC-136589
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 312923-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

312923-12-9 / N-(2-benzoyl-4-chlorophenyl)-3,4-difluorobenzamide

Standard CAS: 312923-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
312923-12-9
Multi CAS
No
Molecular Formula
C20H12CLF2NO2
Molecular Weight
371.800000
Exact Mass
371.052463
InChI
InChI=1S/C20H12ClF2NO2/c21-14-7-9-18(15(11-14)19(25)12-4-2-1-3-5-12)24-20(26)13-6-8-16(22)17(23)10-13/h1-11H,(H,24,26)
InChIKey
XJQJSWAEHGBVPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
95.64
TPSA
46.17

LogP / Solubility

WLOGP
5.1
MLOGP
4.51
XLogP3
5.5
Consensus LogP
5.04
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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