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CAS 1386861-46-6 2-Chloro-6-methyl-N-phenylbenzamide molecular structure lightbox
CAS RN: 1386861-46-6

2-Chloro-6-methyl-N-phenylbenzamide

  • Product code: SSC-048644
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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: 5g
  • Available purity: ＞97%
  • 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 1386861-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1386861-46-6 / 2-chloro-6-methyl-N-phenylbenzamide

Standard CAS: 1386861-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1386861-46-6
Multi CAS
No
Molecular Formula
C14H12ClNO
Molecular Weight
245.700000
Exact Mass
245.060742
SMILES
CC1=C(C(=CC=C1)Cl)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H12ClNO/c1-10-6-5-9-12(15)13(10)14(17)16-11-7-3-2-4-8-11/h2-9H,1H3,(H,16,17)
InChIKey
CPCKYTVKZDZSBA-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
H-bond donors
1
Molar refractivity
70.58
TPSA
29.1

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
3.6
Consensus LogP
3.65
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

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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