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CAS 91130-51-7 4-(2-Bromobenzyl)morpholine molecular structure lightbox
CAS RN: 91130-51-7

4-(2-Bromobenzyl)morpholine

  • Product code: SSC-203973
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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 91130-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

91130-51-7 / 4-[(2-bromophenyl)methyl]morpholine

Standard CAS: 91130-51-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91130-51-7
Multi CAS
No
Molecular Formula
BC11H14ORn
Molecular Weight
256.140000
Exact Mass
255.025880
InChI
InChI=1S/C11H14BrNO/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChIKey
RFCVOGXWQWZLPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.24
TPSA
12.47

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.1
Consensus LogP
2.13
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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