![CAS 30242-05-8 1-Propanol,3,3′-[oxybis(3,1-propanediyloxy)]bis- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/30242-05-8.gif)
CAS RN: 30242-05-8
1-Propanol,3,3′-[oxybis(3,1-propanediyloxy)]bis- (9CI)
- Product code: SSC-134023
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
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
30242-05-8 / 3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propan-1-ol
Basic Information
CAS
30242-05-8
Multi CAS
No
Molecular Formula
C12H26O5
Molecular Weight
250.330000
Exact Mass
250.178024
InChI
InChI=1S/C12H26O5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h13-14H,1-12H2
InChIKey
SSQYDJBBYFFAOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
2
Molar refractivity
65.1
TPSA
68.15
LogP / Solubility
WLOGP
0.58
MLOGP
0.52
XLogP3
-0.2
Consensus LogP
0.3
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
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)
-3.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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