![CAS 1431540-99-6 5-[4-[3-[(4-Acetyl-1-piperazinyl)carbonyl]phenyl]-6-quinazolinyl]-2-methoxy-3-pyridinecarbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1431540-99-6.gif)
CAS RN: 1431540-99-6
5-[4-[3-[(4-Acetyl-1-piperazinyl)carbonyl]phenyl]-6-quinazolinyl]-2-methoxy-3-pyridinecarbonitrile
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260105 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250315 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260217 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251124 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260516 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1431540-99-6
- Purity/Analytical Methods: >99.0%
1431540-99-6 / 5-[4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrile
Basic Information
CAS
1431540-99-6
Multi CAS
No
Molecular Formula
C28H24N6O3
Molecular Weight
492.500000
Exact Mass
492.190989
SMILES
CC(=O)N1CCN(CC1)C(=O)C2=CC=CC(=C2)C3=NC=NC4=C3C=C(C=C4)C5=CC(=C(N=C5)OC)C#N
InChI
InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
InChIKey
QYTXJLQBSYAMGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
22
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
137.63
TPSA
112.31
LogP / Solubility
WLOGP
3.54
MLOGP
3.15
XLogP3
2.5
Consensus LogP
3.06
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.28
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
![CAS 1431542-21-0 2-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid
- CAS RN: 1431542-21-0
- Product Code: SSC-054476
-
[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid
- CAS RN: 1431546-20-1
- Product Code: SSC-054478
-
2-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetic acid
- CAS RN: 1431548-94-5
- Product Code: SSC-054480
-
-
3′,5′-O-Diacetyl-6-chloro-2′-deoxy-2′-fluoroguanosine
- CAS RN: 1431557-45-7
- Product Code: starshine_CAS1431557-45-7
- Purity/Analytical method: >99.0%
-
UNC 1999
- CAS RN: 1431612-23-5
- Product Code: starshine_CAS1431612-23-5
- Purity/Analytical method: >99.0%
![CAS 1431542-21-0 2-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1431542-21-0.gif)
![CAS 1431546-20-1 [2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1431546-20-1.gif)
