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CAS 1364699-31-9 4-(1-(3-Bromophenyl)ethyl)morpholine molecular structure lightbox
CAS RN: 1364699-31-9

4-(1-(3-Bromophenyl)ethyl)morpholine

  • Product code: SSC-045480
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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 1364699-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1364699-31-9 / 4-[1-(3-bromophenyl)ethyl]morpholine

Standard CAS: 1364699-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1364699-31-9
Multi CAS
No
Molecular Formula
C12H16BrNO
Molecular Weight
270.170000
Exact Mass
269.041530
SMILES
CC(C1=CC(=CC=C1)Br)N2CCOCC2
InChI
InChI=1S/C12H16BrNO/c1-10(14-5-7-15-8-6-14)11-3-2-4-12(13)9-11/h2-4,9-10H,5-8H2,1H3
InChIKey
KDWFLFIFJDRZLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.95
TPSA
12.47

LogP / Solubility

WLOGP
2.84
MLOGP
2.51
XLogP3
2.5
Consensus LogP
2.62
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.35

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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