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CAS 112913-94-7 2-Acetylamidomethyl-4-(4-fluorobenzyl)morpholine molecular structure lightbox
CAS RN: 112913-94-7

2-Acetylamidomethyl-4-(4-fluorobenzyl)morpholine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 5g / 10g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013177
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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 112913-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

112913-94-7 / N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]acetamide

N-((4-(4-Fluorobenzyl)morpholin-2-yl)methyl)acetamide | 2-Acetylamidomethyl-4-(4-fluorobenzyl)morpholine | N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]acetamide

Standard CAS: 112913-94-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112913-94-7
Multi CAS
Yes
Molecular Formula
C14H19FN2O2
Molecular Weight
266.310000
Exact Mass
266.143056
SMILES
CC(=O)NCC1CN(CCO1)CC2=CC=C(C=C2)F
InChI
InChI=1S/C14H19FN2O2/c1-11(18)16-8-14-10-17(6-7-19-14)9-12-2-4-13(15)5-3-12/h2-5,14H,6-10H2,1H3,(H,16,18)
InChIKey
IYDYAXXGLUZOJN-UHFFFAOYSA-N
Synonyms
N-((4-(4-Fluorobenzyl)morpholin-2-yl)methyl)acetamide 2-Acetylamidomethyl-4-(4-fluorobenzyl)morpholine N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]acetamide MFCD16619692 N-[[4-(4-Fluorobenzyl)-2-morpholinyl]methyl]acetamide

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.1
TPSA
41.57

LogP / Solubility

WLOGP
1.16
MLOGP
1.03
XLogP3
0.9
Consensus LogP
1.03
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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