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CAS 92050-17-4 C8H12Br2N2(ODADBr) molecular structure lightbox
CAS RN: 92050-17-4

C8H12Br2N2(ODADBr)

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6 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250320 25mg / 100mg / 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250207 1g Out of stock Inquiry
Batchno.20250418 250mg Out of stock Inquiry
Batchno.20260305 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250408 25g Out of stock Inquiry
Batchno.20250112 5g Out of stock Inquiry
  • Product code: starshine_CAS92050-17-4
  • Purity/Analytical Methods: >99.0%
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92050-17-4 / octane-1,8-diamine;hydrobromide

Standard CAS: 92050-17-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92050-17-4
Multi CAS
Yes
Molecular Formula
BC8H21Rn2
Molecular Weight
225.170000
Exact Mass
224.088810
InChI
InChI=1S/C8H20N2.2BrH/c9-7-5-3-1-2-4-6-8-10;;/h1-10H2;2*1H
InChIKey
XXBLGVUXOUAJTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.13
TPSA
52.04

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately 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)
-2.8

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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