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CAS 263169-37-5 [(5-BROMO-2-FURYL)METHYL]AMINE molecular structure lightbox
CAS RN: 263169-37-5

[(5-BROMO-2-FURYL)METHYL]AMINE

  • Product code: SSC-123703
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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: 0.1g, 0.25g, 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 263169-37-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

263169-37-5 / (5-bromofuran-2-yl)methanamine

Standard CAS: 263169-37-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263169-37-5
Multi CAS
No
Molecular Formula
C5H6BrNO
Molecular Weight
176.010000
Exact Mass
174.963280
SMILES
C1=C(OC(=C1)Br)CN
InChI
InChI=1S/C5H6BrNO/c6-5-2-1-4(3-7)8-5/h1-2H,3,7H2
InChIKey
PUZCAYXIVIOWTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.3
TPSA
39.16

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
0.9
Consensus LogP
1.24
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

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

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