![CAS 1402086-20-7 2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402086-20-7(2).gif)
CAS RN: 1402086-20-7
2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-
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.20250716 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1402086-20-7
- Purity/Analytical Methods: >99.0%
1402086-20-7 / N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]prop-2-enamide
Basic Information
CAS
1402086-20-7
Multi CAS
No
Molecular Formula
C21H18ClFN4O3
Molecular Weight
428.800000
Exact Mass
428.105146
SMILES
C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4
InChI
InChI=1S/C21H18ClFN4O3/c1-2-20(28)27-18-8-14-17(9-19(18)30-13-5-6-29-10-13)24-11-25-21(14)26-12-3-4-16(23)15(22)7-12/h2-4,7-9,11,13H,1,5-6,10H2,(H,27,28)(H,24,25,26)/t13-/m0/s1
InChIKey
MLHDLQIHGCIPJQ-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
112.91
TPSA
85.37
LogP / Solubility
WLOGP
4.46
MLOGP
3.95
XLogP3
3.9
Consensus LogP
4.1
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
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)
-2.17
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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![CAS 1402148-73-5 tert-butyl 2,4-dichloro-5H-pyrrolo[3,2-d]pyriMidine-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62614456(2).gif)
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