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CAS 39084-88-3 IMp. A (EP): (RS)-2-Chloro-N-(2-Methylphenyl)-PropanaMide molecular structure lightbox
CAS RN: 39084-88-3

IMp. A (EP): (RS)-2-Chloro-N-(2-Methylphenyl)-PropanaMide

  • Product code: SSC-146683
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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: 0.25g
  • 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 39084-88-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

39084-88-3 / 2,2-dichloro-N-(2,6-dimethylphenyl)acetamide

Standard CAS: 39084-88-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39084-88-3
Multi CAS
Yes
Molecular Formula
C10H11CL2NO
Molecular Weight
232.100000
Exact Mass
231.021769
InChI
InChI=1S/C10H11Cl2NO/c1-6-4-3-5-7(2)8(6)13-10(14)9(11)12/h3-5,9H,1-2H3,(H,13,14)
InChIKey
ZBRUDTTYIRXMSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.04
TPSA
29.1

LogP / Solubility

WLOGP
3.05
MLOGP
2.68
XLogP3
2.4
Consensus LogP
2.71
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-1.97

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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