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CAS 594-15-0 TRIBROMOCHLOROMETHANE molecular structure lightbox
CAS RN: 594-15-0

TRIBROMOCHLOROMETHANE

  • Product code: SSC-167850
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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 594-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

594-15-0 / tribromo(chloro)methane

Standard CAS: 594-15-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
594-15-0
Multi CAS
Yes
Molecular Formula
CBR3CL
Molecular Weight
287.170000
Exact Mass
285.721820
InChI
InChI=1S/CBr3Cl/c2-1(3,4)5
InChIKey
GKXZMEXQUWZGJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Molar refractivity
35.36
TPSA
0.0000

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
3.3
Consensus LogP
3
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
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)
-2.33

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

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