CAS RN: 5790-46-5
1-(Isopropylamino)-3-(4-methylphenoxy)propane-2-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.20250703 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5790-46-5
- Purity/Analytical Methods: >99.0%
5790-46-5 / 1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Basic Information
CAS
5790-46-5
Multi CAS
No
Molecular Formula
C13H21NO2
Molecular Weight
223.310000
Exact Mass
223.157229
InChI
InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3
InChIKey
MJXGIIVJTPVZCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.82
TPSA
41.49
LogP / Solubility
WLOGP
1.73
MLOGP
1.53
XLogP3
1.7
Consensus LogP
1.65
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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