CAS RN: 2280037-51-4
“Bobcat339(Bobcat 339)”
Product Availability
Choose a grade to view its available package options.
11 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250218 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250526 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250531 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250705 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260428 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2280037-51-4
- Purity/Analytical Methods: >99.0%
2280037-51-4 / 4-amino-5-chloro-1-(3-phenylphenyl)pyrimidin-2-one
Basic Information
CAS
2280037-51-4
Multi CAS
No
Molecular Formula
C16H12ClN3O
Molecular Weight
297.740000
Exact Mass
297.066890
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)N3C=C(C(=NC3=O)N)Cl
InChI
InChI=1S/C16H12ClN3O/c17-14-10-20(16(21)19-15(14)18)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10H,(H2,18,19,21)
InChIKey
QMGYGOOYCNTEQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
84.69
TPSA
60.91
LogP / Solubility
WLOGP
3.14
MLOGP
2.77
XLogP3
2.9
Consensus LogP
2.94
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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