CAS RN: 507487-89-0
Cdk2/9 Inhibitor
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: starshine_CAS507487-89-0
- Purity/Analytical Methods: >99.0%
507487-89-0 / 4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
Basic Information
CAS
507487-89-0
Multi CAS
No
Molecular Formula
C14H12N6O2S
Molecular Weight
328.350000
Exact Mass
328.074245
InChI
InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
InChIKey
DYTKVFHLKPDNRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
88.67
TPSA
119.86
LogP / Solubility
WLOGP
3.14
MLOGP
2.78
XLogP3
2.7
Consensus LogP
2.87
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
Benzenemethanamine, 4-fluoro-3-methoxy- (9CI)
- CAS RN: 508177-67-1
- Product Code: SSC-157556
-
Ganoderic acid LM2
- CAS RN: 508182-41-0
- Product Code: starshine_CAS508182-41-0
- Purity/Analytical method: >99.0%
-
1-(2,3-Di(thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea
- CAS RN: 508186-14-9
- Product Code: SSC-157557
-
-
-
tert-Butyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate
- CAS RN: 508223-54-9
- Product Code: starshine_CAS508223-54-9
- Purity/Analytical method: >99.0%
