CAS RN: 72955-94-3
N-Benzyl Carvedilol
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.20260207 | 20mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS72955-94-3
- Purity/Analytical Methods: >99.0%
72955-94-3 / 1-[benzyl-[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol
Basic Information
CAS
72955-94-3
Multi CAS
No
Molecular Formula
C31H32N2O4
Molecular Weight
496.600000
Exact Mass
496.236208
InChI
InChI=1S/C31H32N2O4/c1-35-28-15-7-8-16-29(28)36-19-18-33(20-23-10-3-2-4-11-23)21-24(34)22-37-30-17-9-14-27-31(30)25-12-5-6-13-26(25)32-27/h2-17,24,32,34H,18-22H2,1H3
InChIKey
FFZGDNBZNMTOCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
25
Fraction Csp3
0.23
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
2
Molar refractivity
147.51
TPSA
66.95
LogP / Solubility
WLOGP
5.65
MLOGP
5.01
XLogP3
6.2
Consensus LogP
5.62
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-7.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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