CAS RN: 497867-90-0
2-Butanone, 4-(2-pyrimidinyl)- (9CI)
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.20250313 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS497867-90-0
- Purity/Analytical Methods: >99.0%
497867-90-0 / 4-pyrimidin-2-ylbutan-2-one
Basic Information
CAS
497867-90-0
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
InChI
InChI=1S/C8H10N2O/c1-7(11)3-4-8-9-5-2-6-10-8/h2,5-6H,3-4H2,1H3
InChIKey
BRSDHKGPVXWFLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
41.03
TPSA
42.85
LogP / Solubility
WLOGP
1
MLOGP
0.87
XLogP3
0.2
Consensus LogP
0.69
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Lurbinectedin
- CAS RN: 497871-47-3
- Product Code: starshine_CAS497871-47-3
- Purity/Analytical method: >99.0%
-
(11bS)-N,N-Bis[(R)-1-phenylethyl]-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine
- CAS RN: 497883-22-4
- Product Code: SSC-156075
-
-
2-Chloro-4-fluorophenylhydrazine hydrochloride
- CAS RN: 497959-29-2
- Product Code: SSC-156085
-
-
![CAS 497883-22-4 (11bS)-N,N-Bis[(R)-1-phenylethyl]-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/497883-22-4.gif)
