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CAS 40244-90-4 Chlorodiisopropylphosphine molecular structure lightbox
CAS RN: 40244-90-4

Chlorodiisopropylphosphine

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4 package records4 with current stock2 grade groups
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Batchno.20250103 25g In stock Inquiry
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  • Product code: ICTC1720
  • Purity/Analytical Methods: >98.0%(T)
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40244-90-4 / chloro-di(propan-2-yl)phosphane

Standard CAS: 40244-90-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40244-90-4
Multi CAS
Yes
Molecular Formula
C6H14CLP
Molecular Weight
152.600000
Exact Mass
152.052165
InChI
InChI=1S/C6H14ClP/c1-5(2)8(7)6(3)4/h5-6H,1-4H3
InChIKey
JZPDBTOWHLZQFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
43.05
TPSA
0.0000

LogP / Solubility

WLOGP
3.44
MLOGP
3.02
XLogP3
2.3
Consensus LogP
2.92
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-1.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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