CAS RN: 1217757-71-5
(R)-(+)-5′-HYDROXYPHENYL 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.20250208 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1217757-71-5
- Purity/Analytical Methods: >99.0%
1217757-71-5 / 3-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol
Basic Information
CAS
1217757-71-5
Multi CAS
No
Molecular Formula
C24H26N2O5
Molecular Weight
422.500000
Exact Mass
422.184172
SMILES
COC1=C(C=C(C=C1)O)OCCNC[C@H](COC2=CC=CC3=C2C4=CC=CC=C4N3)O
InChI
InChI=1S/C24H26N2O5/c1-29-21-10-9-16(27)13-23(21)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3/t17-/m1/s1
InChIKey
PVUVZUBTCLBJMT-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
19
Fraction Csp3
0.25
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
120.33
TPSA
95.97
LogP / Solubility
WLOGP
3.44
MLOGP
3.06
XLogP3
3.8
Consensus LogP
3.43
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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