CAS RN: 29911-28-2

DI(PROPYLENE GLYCOL) BUTYL ETHER

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5 package records5 with current stock2 grade groups
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  • Product code: starshine_CAS29911-28-2
  • Purity/Analytical Methods: >99.0%
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29911-28-2 / 1-(1-butoxypropan-2-yloxy)propan-2-ol

Standard CAS: 29911-28-2 Multi CAS: Yes

Basic Information

CAS
29911-28-2
Multi CAS
Yes
Molecular Formula
C10H22O3
Molecular Weight
190.280000
Exact Mass
190.156895
InChI
InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
InChIKey
CUVLMZNMSPJDON-UHFFFAOYSA-N

Physical Properties

Boiling Point
230 °C
Density
Relative density (water = 1): 0.91
Physical Description
Liquid Colorless liquid; [ICSC] Odor of ether; COLOURLESS LIQUID.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.82
TPSA
38.69

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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)
-2.75

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
2.5

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