CAS RN: 65023-16-7
Bometolol Hydrochloride
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.20250506 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS65023-16-7
- Purity/Analytical Methods: >99.0%
65023-16-7 / 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
Basic Information
CAS
65023-16-7
Multi CAS
No
Molecular Formula
C25H33CLN2O7
Molecular Weight
509.000000
Exact Mass
508.197629
InChI
InChI=1S/C25H32N2O7.ClH/c1-16(28)14-33-22-8-7-20(19-5-9-24(30)27-25(19)22)34-15-18(29)13-26-11-10-17-4-6-21(31-2)23(12-17)32-3;/h4,6-8,12,18,26,29H,5,9-11,13-15H2,1-3H3,(H,27,30);1H
InChIKey
KCHIAYQOQVIORJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
13
H-bond acceptors
8
H-bond donors
3
Molar refractivity
134.44
TPSA
115.35
LogP / Solubility
WLOGP
2.55
MLOGP
2.28
XLogP3
2.55
Consensus LogP
2.46
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 65025-94-7 (3aR,4S,5R,6aS)-4-(tert-Butyldimethylsilyloxy)methyl-5-hydroxy-hexahydro-2H-cyclopenta[b]furan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/65025-94-7.gif)
