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CAS 96-11-7 1,2,3-Tribromopropane molecular structure lightbox
CAS RN: 96-11-7

1,2,3-Tribromopropane

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250430 100g In stock Shanghai Inquiry
Batchno.20250907 1kg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250705 25g In stock Shanghai Inquiry
Batchno.20251230 500g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: ICTT0355
  • Purity/Analytical Methods: >97.0%(GC)
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96-11-7 / 1,2,3-tribromopropane

Standard CAS: 96-11-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
96-11-7
Multi CAS
No
Molecular Formula
C3H5BR3
Molecular Weight
280.780000
Exact Mass
279.792090
InChI
InChI=1S/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2
InChIKey
FHCLGDLYRUPKAM-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid; mp = 16.5 deg C; [Merck Index] Light yellow liquid; mp = 16-17 deg C
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
40.3
TPSA
0.0000

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.6
Consensus LogP
2.46
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.63

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
1.5

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