CAS RN: 2248003-60-1
AZD3229
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260126 | 2mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2248003-60-1
- Purity/Analytical Methods: >99.0%
2248003-60-1 / N-[4-[[5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
Basic Information
CAS
2248003-60-1
Multi CAS
No
Molecular Formula
C24H26FN7O3
Molecular Weight
479.500000
Exact Mass
479.208116
SMILES
CC(C)C1=CN(N=N1)CC(=O)NC2=CC=C(C=C2)NC3=NC=NC4=C3C(=CC(=C4)OCCOC)F
InChI
InChI=1S/C24H26FN7O3/c1-15(2)21-12-32(31-30-21)13-22(33)28-16-4-6-17(7-5-16)29-24-23-19(25)10-18(35-9-8-34-3)11-20(23)26-14-27-24/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,28,33)(H,26,27,29)
InChIKey
FLJOFQUXYAWOPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.29
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
2
Molar refractivity
129.33
TPSA
116.08
LogP / Solubility
WLOGP
3.89
MLOGP
3.46
XLogP3
3.3
Consensus LogP
3.55
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
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)
-2.88
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
Customers Also Viewed
-
AZD3229 Tosylate
- CAS RN: 2248003-71-4
- Product Code: starshine_CAS2248003-71-4
- Purity/Analytical method: >99.0%
-
7-fluoro-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
- CAS RN: 2248157-24-4
- Product Code: SSC-109901
-
Ethyl 5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylate
- CAS RN: 2248181-61-3
- Product Code: starshine_CAS2248181-61-3
- Purity/Analytical method: >99.0%
-
-
2,4(1H,3H)-Quinazolinedione, 7-bromo-6,8-difluoro-
- CAS RN: 2248301-65-5
- Product Code: SSC-109928
-
7-bromo-2,4-dichloro-6,8-difluoroquinazoline
- CAS RN: 2248318-27-4
- Product Code: SSC-109933
