CAS RN: 864544-37-6
Keto Bisoprolol
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.20260620 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS864544-37-6
- Purity/Analytical Methods: >99.0%
864544-37-6 / 2-propan-2-yloxyethyl 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]benzoate
Basic Information
CAS
864544-37-6
Multi CAS
Yes
Molecular Formula
C18H29NO5
Molecular Weight
339.400000
Exact Mass
339.204573
InChI
InChI=1S/C18H29NO5/c1-13(2)19-11-16(20)12-24-17-7-5-15(6-8-17)18(21)23-10-9-22-14(3)4/h5-8,13-14,16,19-20H,9-12H2,1-4H3
InChIKey
DUPZZHDDPRYPMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
2
Molar refractivity
92.45
TPSA
77.02
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
-
IT1t
- CAS RN: 864677-55-4
- Product Code: starshine_CAS864677-55-4
- Purity/Analytical method: >99.0%
-
-
3-(4-aMinophenyl)-1,2,4-oxadiazol-5(4H)-one-HCl
- CAS RN: 864680-71-7
- Product Code: starshine_CAS864680-71-7
- Purity/Analytical method: >99.0%
