CAS RN: 72956-35-5
N-Methyl Carvedilol (Carvedilol impurity)
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.20251129 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS72956-35-5
- Purity/Analytical Methods: >99.0%
72956-35-5 / 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol
Basic Information
CAS
72956-35-5
Multi CAS
Yes
Molecular Formula
C25H28N2O4
Molecular Weight
420.500000
Exact Mass
420.204907
InChI
InChI=1S/C25H28N2O4/c1-27(14-15-30-23-12-6-5-11-22(23)29-2)16-18(28)17-31-24-13-7-10-21-25(24)19-8-3-4-9-20(19)26-21/h3-13,18,26,28H,14-17H2,1-2H3
InChIKey
IIYAQEVCUAUADP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
19
Fraction Csp3
0.28
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
123.29
TPSA
66.95
LogP / Solubility
WLOGP
4.08
MLOGP
3.62
XLogP3
4.7
Consensus LogP
4.13
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 72960-21-5 (5R,6S,7S,13aS,16R,17R)-5,6,7,8-Tetrahydro-17-hydroxy-1,2,3-trimethoxy-6,7,16,17-tetramethyl-5,13-(epoxybutanoxy)benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-18-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72960-21-5.gif)
