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CAS 955879-95-5 N-(biphenyl-2-yl)-2-chloro-N-methylacetamide molecular structure lightbox
CAS RN: 955879-95-5

N-(biphenyl-2-yl)-2-chloro-N-methylacetamide

  • Product code: SSC-211031
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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 955879-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

955879-95-5 / 2-chloro-N-methyl-N-(2-phenylphenyl)acetamide

Standard CAS: 955879-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
955879-95-5
Multi CAS
No
Molecular Formula
C15H14CLNO
Molecular Weight
259.730000
Exact Mass
259.076392
InChI
InChI=1S/C15H14ClNO/c1-17(15(18)11-16)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey
IPKWRKRPWLDRSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
76.01
TPSA
20.31

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
3.5
Consensus LogP
3.4
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

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

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