CAS RN: 2347-43-5
5-CHLOROCYTOSINE
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.20250316 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2347-43-5
- Purity/Analytical Methods: >99.0%
2347-43-5 / 6-amino-5-chloro-1H-pyrimidin-2-one
Basic Information
CAS
2347-43-5
Multi CAS
No
Molecular Formula
C4H4ClN3O
Molecular Weight
145.550000
Exact Mass
145.004290
SMILES
C1=NC(=O)NC(=C1Cl)N
InChI
InChI=1S/C4H4ClN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKey
PNWOYKVCNDZOLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.28
TPSA
71.77
LogP / Solubility
WLOGP
0.01
XLogP3
-0.3
Consensus LogP
-0.1
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.6
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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