CAS RN: 1445-15-4
2-DIMETHYLAMINO-6-HYDROXYPURINE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250121 | 100mg | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20260509 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260214 | 1g | Out of stock | Inquiry | |
| Batchno.20260521 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260612 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: starshine_CAS1445-15-4
- Purity/Analytical Methods: >99.0%
1445-15-4 / 2-(dimethylamino)-1,7-dihydropurin-6-one
Basic Information
CAS
1445-15-4
Multi CAS
No
Molecular Formula
C7H9N5O
Molecular Weight
179.180000
Exact Mass
179.080710
SMILES
CN(C)C1=NC2=C(C(=O)N1)NC=N2
InChI
InChI=1S/C7H9N5O/c1-12(2)7-10-5-4(6(13)11-7)8-3-9-5/h3H,1-2H3,(H2,8,9,10,11,13)
InChIKey
XMSMHKMPBNTBOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.84
TPSA
77.67
LogP / Solubility
WLOGP
-0.29
MLOGP
-0.26
XLogP3
-0.5
Consensus LogP
-0.35
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
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)
-4.02
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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- CAS RN: 1445-53-0
- Product Code: SSC-055682
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