CAS RN: 21203-79-2
2-METHYL-4-PHENYLPYRIMIDINE
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.20260201 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21203-79-2
- Purity/Analytical Methods: >99.0%
21203-79-2 / 2-methyl-4-phenylpyrimidine
Basic Information
CAS
21203-79-2
Multi CAS
No
Molecular Formula
C11H10N2
Molecular Weight
170.210000
Exact Mass
170.084398
SMILES
CC1=NC=CC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
DNXHGGGLGZKHIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.21
TPSA
25.78
LogP / Solubility
WLOGP
2.45
MLOGP
2.15
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS21205-91-4
- Purity/Analytical method: >99.0%
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