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CAS 38300-67-3 1,2,4-Tribromobutane molecular structure lightbox
CAS RN: 38300-67-3

1,2,4-Tribromobutane

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai, Hebei Inquiry
  • Product code: starshine_CAS38300-67-3
  • Purity/Analytical Methods: >99.0%
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38300-67-3 / 1,2,4-tribromobutane

Standard CAS: 38300-67-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38300-67-3
Multi CAS
No
Molecular Formula
C4H7BR3
Molecular Weight
294.810000
Exact Mass
293.807740
InChI
InChI=1S/C4H7Br3/c5-2-1-4(7)3-6/h4H,1-3H2
InChIKey
UKFHIKGQGFCINK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
44.92
TPSA
0.0000

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
2.9
Consensus LogP
2.81
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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