CAS RN: 496024-43-2
Amlodipine Impurity 31
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.20250628 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS496024-43-2
- Purity/Analytical Methods: >99.0%
496024-43-2 / 5-O-ethyl 7-O-methyl 6-(2-chlorophenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzoxazine-5,7-dicarboxylate
Basic Information
CAS
496024-43-2
Multi CAS
No
Molecular Formula
C20H22CLNO5
Molecular Weight
391.800000
Exact Mass
391.118651
InChI
InChI=1S/C20H22ClNO5/c1-4-26-20(24)16-15(12-7-5-6-8-13(12)21)14(19(23)25-3)11(2)18-17(16)22-9-10-27-18/h5-8,14-15,22H,4,9-10H2,1-3H3
InChIKey
ZTKBXGUJDFQQPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
100.01
TPSA
73.86
LogP / Solubility
WLOGP
2.94
MLOGP
2.61
XLogP3
2.8
Consensus LogP
2.78
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
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
Yes
Log Kp (skin permeation)
-3.02
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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