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CAS 494772-88-2 4-(4-MorpholinylMethyl)-β-oxo-benzenepropanenitrile molecular structure lightbox
CAS RN: 494772-88-2

4-(4-MorpholinylMethyl)-β-oxo-benzenepropanenitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-155705
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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 494772-88-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

494772-88-2 / 3-[4-(morpholin-4-ylmethyl)phenyl]-3-oxopropanenitrile

Standard CAS: 494772-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
494772-88-2
Multi CAS
No
Molecular Formula
C14H16N2O2
Molecular Weight
244.290000
Exact Mass
244.121178
InChI
InChI=1S/C14H16N2O2/c15-6-5-14(17)13-3-1-12(2-4-13)11-16-7-9-18-10-8-16/h1-4H,5,7-11H2
InChIKey
AHCJOBZGEGPAPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
67.1
TPSA
53.33

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1
Consensus LogP
1.35
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-3.06

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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