CAS RN: 1254955-21-9
Tovok bibw2992
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.20250511 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1254955-21-9
- Purity/Analytical Methods: >99.0%
1254955-21-9 / (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide;hydrochloride
Basic Information
CAS
1254955-21-9
Multi CAS
No
Molecular Formula
C24H26Cl2FN5O3
Molecular Weight
522.400000
Exact Mass
521.139673
SMILES
CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4.Cl
InChI
InChI=1S/C24H25ClFN5O3.ClH/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15;/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);1H/b4-3+;/t16-;/m0./s1
InChIKey
SMMBTCSQQRTBBX-KHNHNNODSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
137.65
TPSA
88.61
LogP / Solubility
WLOGP
4.81
MLOGP
4.27
XLogP3
4.81
Consensus LogP
4.63
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.01
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1254977-87-1 3-(cyclopropylMethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-(cyclopropylMethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridine
- CAS RN: 1254977-87-1
- Product Code: starshine_CAS1254977-87-1
- Purity/Analytical method: >99.0%
-
1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
- CAS RN: 1254982-25-6
- Product Code: SSC-030224
-
(2R)-2-AMINO-3-(2-METHOXYPHENYL)PROPAN-1-OL HYDROCHLORIDE
- CAS RN: 1255037-24-1
- Product Code: starshine_CAS1255037-24-1
- Purity/Analytical method: >99.0%
-
2-(4-(BENZYLOXY)-3,5-DIFLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
- CAS RN: 1255041-73-6
- Product Code: starshine_CAS1255041-73-6
- Purity/Analytical method: >99.0%
-
tert-Butyl (2-broMo-4-Methylthiazol-5-yl)carbaMate
- CAS RN: 1255095-03-4
- Product Code: SSC-030230
-
![CAS 1254977-87-1 3-(cyclopropylMethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1254977-87-1.gif)
![CAS 1255097-94-9 6,8-dibromo-3-chloroimidazo[1,2-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1255097-94-9.gif)