CAS RN: 53345-78-1
Pyrimidine, 4-(4-pyridinyl)- (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.20251129 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53345-78-1
- Purity/Analytical Methods: >99.0%
53345-78-1 / 4-pyridin-4-ylpyrimidine
Basic Information
CAS
53345-78-1
Multi CAS
No
Molecular Formula
C9H7N3
Molecular Weight
157.170000
Exact Mass
157.063997
InChI
InChI=1S/C9H7N3/c1-4-10-5-2-8(1)9-3-6-11-7-12-9/h1-7H
InChIKey
UACHOGFPFNIAIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.26
TPSA
38.67
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
0.9
Consensus LogP
1.26
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
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
-
-
-
3′,4′,5′,5,7-PENTAMETHOXYFLAVONE
- CAS RN: 53350-26-8
- Product Code: starshine_CAS53350-26-8
- Purity/Analytical method: >99.0%
-
4-(5-FORMYL-FURAN-2-YL)-BENZOIC ACID METHYL ESTER
- CAS RN: 53355-29-6
- Product Code: SSC-160663
-
-
