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CAS 590-13-6 CIS-1-BROMO-1-PROPENE molecular structure lightbox
CAS RN: 590-13-6

CIS-1-BROMO-1-PROPENE

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4 package records4 with current stock2 grade groups
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Batchno.20260503 1g In stock Inquiry
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  • Product code: starshine_CAS590-13-6
  • Purity/Analytical Methods: >99.0%
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590-13-6 / 1-bromoprop-1-ene

Standard CAS: 590-13-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
590-13-6
Multi CAS
Yes
Molecular Formula
C3H5BR
Molecular Weight
120.980000
Exact Mass
119.957460
InChI
InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3
InChIKey
NNQDMQVWOWCVEM-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear, light yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
0.33
Molar refractivity
23.74
TPSA
0.0000

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-2.1

Drug-likeness / Medicinal Chemistry

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

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