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CAS 28230-40-2 N-[BIS(4-METHOXYPHENYL)METHYL]-2-CHLOROACETAMIDE molecular structure lightbox
CAS RN: 28230-40-2

N-[BIS(4-METHOXYPHENYL)METHYL]-2-CHLOROACETAMIDE

  • Product code: SSC-129067
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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: ＞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 28230-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

28230-40-2 / N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide

Standard CAS: 28230-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28230-40-2
Multi CAS
No
Molecular Formula
C17H18CLNO3
Molecular Weight
319.800000
Exact Mass
319.097521
InChI
InChI=1S/C17H18ClNO3/c1-21-14-7-3-12(4-8-14)17(19-16(20)11-18)13-5-9-15(22-2)10-6-13/h3-10,17H,11H2,1-2H3,(H,19,20)
InChIKey
HZJCCFDHIZXGTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.69
TPSA
47.56

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
3.3
Consensus LogP
3.08
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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