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CAS 51874-27-2 1-PentanaMine, 5-broMo-, hydrobroMide (1:1) molecular structure lightbox
CAS RN: 51874-27-2

1-PentanaMine, 5-broMo-, hydrobroMide (1:1)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260619 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-158894
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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 51874-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

51874-27-2 / 5-bromopentan-1-amine;hydrobromide

Standard CAS: 51874-27-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51874-27-2
Multi CAS
Yes
Molecular Formula
C5H13BR2N
Molecular Weight
246.970000
Exact Mass
246.939430
InChI
InChI=1S/C5H12BrN.BrH/c6-4-2-1-3-5-7;/h1-5,7H2;1H
InChIKey
JNKYTCHREGTJQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.02
TPSA
26.02

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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