CAS RN: 212142-18-2
Vatalanib succinate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250113 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250828 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250909 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260306 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260129 | 50mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS212142-18-2
- Purity/Analytical Methods: >99.0%
212142-18-2 / butanedioic acid;N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
Basic Information
CAS
212142-18-2
Multi CAS
No
Molecular Formula
C24H21ClN4O4
Molecular Weight
464.900000
Exact Mass
464.125133
SMILES
C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4.C(CC(=O)O)C(=O)O
InChI
InChI=1S/C20H15ClN4.C4H6O4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;5-3(6)1-2-4(7)8/h1-12H,13H2,(H,23,25);1-2H2,(H,5,6)(H,7,8)
InChIKey
LLDWLPRYLVPDTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
125.82
TPSA
125.3
LogP / Solubility
WLOGP
4.95
MLOGP
4.39
XLogP3
4.95
Consensus LogP
4.76
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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