CAS RN: 55636-92-5
2-(hydroxyethyl)-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251129 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS55636-92-5
- Purity/Analytical Methods: >99.0%
55636-92-5 / 1-[[2-(1-hydroxyethyl)-1-benzofuran-7-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
Basic Information
CAS
55636-92-5
Multi CAS
Yes
Molecular Formula
C16H23NO4
Molecular Weight
293.360000
Exact Mass
293.162708
InChI
InChI=1S/C16H23NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10-11,13,17-19H,8-9H2,1-3H3
InChIKey
SOBIXRUSPZTLPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
81.49
TPSA
74.86
LogP / Solubility
WLOGP
2.22
MLOGP
1.97
XLogP3
1.6
Consensus LogP
1.93
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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