![CAS 426831-08-5 {4-[3-(Dimethylamino)propoxy]phenyl}methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/426831-08-5.gif)
CAS RN: 426831-08-5
{4-[3-(Dimethylamino)propoxy]phenyl}methanol
- Product code: SSC-150967
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
426831-08-5 / [4-[3-(dimethylamino)propoxy]phenyl]methanol
Basic Information
CAS
426831-08-5
Multi CAS
No
Molecular Formula
C12H19NO2
Molecular Weight
209.280000
Exact Mass
209.141579
InChI
InChI=1S/C12H19NO2/c1-13(2)8-3-9-15-12-6-4-11(10-14)5-7-12/h4-7,14H,3,8-10H2,1-2H3
InChIKey
ZLCIFBOMXUAJPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.03
TPSA
32.7
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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