Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
4744-11-0 / 1,1-dipropoxypropane
Basic Information
CAS
4744-11-0
Multi CAS
Yes
Molecular Formula
C9H20O2
Molecular Weight
160.250000
Exact Mass
160.146330
InChI
InChI=1S/C9H20O2/c1-4-7-10-9(6-3)11-8-5-2/h9H,4-8H2,1-3H3
InChIKey
QIDYONASNONTLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
46.57
TPSA
18.46
LogP / Solubility
WLOGP
2.58
MLOGP
2.26
XLogP3
2.8
Consensus LogP
2.55
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.68
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)
-1.87
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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