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CAS 383128-62-9 2-(5-BROMO-2-METHOXYPHENYL)PIPERIDINE molecular structure lightbox
CAS RN: 383128-62-9

2-(5-BROMO-2-METHOXYPHENYL)PIPERIDINE

  • Product code: SSC-145883
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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 383128-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

383128-62-9 / 2-(5-bromo-2-methoxyphenyl)piperidine

Standard CAS: 383128-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
383128-62-9
Multi CAS
No
Molecular Formula
BC12H16ORn
Molecular Weight
270.170000
Exact Mass
269.041530
InChI
InChI=1S/C12H16BrNO/c1-15-12-6-5-9(13)8-10(12)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3
InChIKey
BJLLFGJZHAQELM-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
H-bond donors
1
Molar refractivity
65.29
TPSA
21.26

LogP / Solubility

WLOGP
3.27
MLOGP
2.89
XLogP3
2.8
Consensus LogP
2.99
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
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)
-2.04

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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