![CAS 51593-96-5 (E)-4-[4-(3-Hydroxypropyl)phenoxy]-2-methyl-2-buten-1-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51593-96-5.gif)
CAS RN: 51593-96-5
(E)-4-[4-(3-Hydroxypropyl)phenoxy]-2-methyl-2-buten-1-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250708 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS51593-96-5
- Purity/Analytical Methods: >99.0%
51593-96-5 / 4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-en-1-ol
Basic Information
CAS
51593-96-5
Multi CAS
Yes
Molecular Formula
C14H20O3
Molecular Weight
236.310000
Exact Mass
236.141245
InChI
InChI=1S/C14H20O3/c1-12(11-16)8-10-17-14-6-4-13(5-7-14)3-2-9-15/h4-8,15-16H,2-3,9-11H2,1H3/b12-8+
InChIKey
GAXDMZRXKOERED-XYOKQWHBSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.19
TPSA
49.69
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
2.1
Consensus LogP
1.91
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.64
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)
-2.79
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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