CAS RN: 1588441-21-7
4-Chloro-6-hydrazinylpyriMidine hydrate
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.20250812 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1588441-21-7
- Purity/Analytical Methods: >99.0%
1588441-21-7 / (6-chloropyrimidin-4-yl)hydrazine;hydrate
Basic Information
CAS
1588441-21-7
Multi CAS
No
Molecular Formula
C4H7ClN4O
Molecular Weight
162.580000
Exact Mass
162.030839
SMILES
C1=C(N=CN=C1Cl)NN.O
InChI
InChI=1S/C4H5ClN4.H2O/c5-3-1-4(9-6)8-2-7-3;/h1-2H,6H2,(H,7,8,9);1H2
InChIKey
IIHHZGURMYRHBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.47
TPSA
95.33
LogP / Solubility
WLOGP
-0.41
MLOGP
-0.36
XLogP3
-0.41
Consensus LogP
-0.39
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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