CAS RN: 19255-48-2
9-(2-Chloro-ethyl)-9H-purin-6-ylamine
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.20250314 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS19255-48-2
- Purity/Analytical Methods: >99.0%
19255-48-2 / 9-(2-chloroethyl)purin-6-amine
Basic Information
CAS
19255-48-2
Multi CAS
No
Molecular Formula
C7H8ClN5
Molecular Weight
197.620000
Exact Mass
197.046823
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCCl)N
InChI
InChI=1S/C7H8ClN5/c8-1-2-13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2H2,(H2,9,10,11)
InChIKey
KXIXGDZXYORBNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.46
TPSA
69.62
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.4
Consensus LogP
0.54
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-3.47
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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