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CAS 438030-67-2 N-(3-CHLORO-4-METHOXY-PHENYL)-2-CYANO-ACETAMIDE molecular structure lightbox
CAS RN: 438030-67-2

N-(3-CHLORO-4-METHOXY-PHENYL)-2-CYANO-ACETAMIDE

  • Product code: SSC-151870
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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 438030-67-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

438030-67-2 / N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide

Standard CAS: 438030-67-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
438030-67-2
Multi CAS
No
Molecular Formula
C10H9CLN2O2
Molecular Weight
224.640000
Exact Mass
224.035255
InChI
InChI=1S/C10H9ClN2O2/c1-15-9-3-2-7(6-8(9)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14)
InChIKey
LVBZGBGZBJPXKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.86
TPSA
62.12

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
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)
-2.53

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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