CAS RN: 38363-41-6
Isopenbutolol
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.20260128 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS38363-41-6
- Purity/Analytical Methods: >99.0%
38363-41-6 / 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
Basic Information
CAS
38363-41-6
Multi CAS
Yes
Molecular Formula
C18H29NO2
Molecular Weight
291.400000
Exact Mass
291.219829
InChI
InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m1/s1
InChIKey
KQXKVJAGOJTNJS-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
86.91
TPSA
41.49
LogP / Solubility
WLOGP
3.47
MLOGP
3.07
XLogP3
4.2
Consensus LogP
3.58
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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