CAS RN: 1637443-98-1
hVEGF-IN-1
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1637443-98-1
- Purity/Analytical Methods: >99.0%
1637443-98-1 / N-[2-[4-[4-[2-(diethylamino)ethoxy]anilino]quinazolin-2-yl]phenyl]-3-(4-methylpiperazin-1-yl)propanamide
Basic Information
CAS
1637443-98-1
Multi CAS
No
Molecular Formula
C34H43N7O2
Molecular Weight
581.800000
Exact Mass
581.347824
SMILES
CCN(CC)CCOC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4NC(=O)CCN5CCN(CC5)C
InChI
InChI=1S/C34H43N7O2/c1-4-40(5-2)24-25-43-27-16-14-26(15-17-27)35-33-29-11-7-9-13-31(29)37-34(38-33)28-10-6-8-12-30(28)36-32(42)18-19-41-22-20-39(3)21-23-41/h6-17H,4-5,18-25H2,1-3H3,(H,36,42)(H,35,37,38)
InChIKey
VIBJAHJNWHZSJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
22
Fraction Csp3
0.38
Rotatable bonds
13
H-bond acceptors
8
H-bond donors
2
Molar refractivity
175.17
TPSA
85.86
LogP / Solubility
WLOGP
5.34
MLOGP
4.74
XLogP3
4.8
Consensus LogP
4.96
Log S (ESOL)
-6.33
Class (ESOL)
Insoluble
Log S (Ali)
-8.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.43
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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