CAS RN: 837423-56-0
2-chloro-N-(2,4-diMethoxyphenyl)pyriMidin-4-aMine
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.20251212 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS837423-56-0
- Purity/Analytical Methods: >99.0%
837423-56-0 / 2-chloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
Basic Information
CAS
837423-56-0
Multi CAS
No
Molecular Formula
C12H12CLN3O2
Molecular Weight
265.690000
Exact Mass
265.061804
InChI
InChI=1S/C12H12ClN3O2/c1-17-8-3-4-9(10(7-8)18-2)15-11-5-6-14-12(13)16-11/h3-7H,1-2H3,(H,14,15,16)
InChIKey
WIAYOVNMHFHMSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.87
TPSA
56.27
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
3
Consensus LogP
2.81
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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