CAS RN: 349085-38-7
2-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)-N-(4-ISOPROPYLPHENYL)ACETAMIDE
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251103 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20251026 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251025 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250711 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260105 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250817 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS349085-38-7
- Purity/Analytical Methods: >99.0%
349085-38-7 / 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
Basic Information
CAS
349085-38-7
Multi CAS
Yes
Molecular Formula
C18H21N5O3
Molecular Weight
355.400000
Exact Mass
355.164440
InChI
InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)
InChIKey
HEQDZPHDVAOBLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
99.38
TPSA
90.92
LogP / Solubility
WLOGP
1.2
MLOGP
1.07
XLogP3
1.7
Consensus LogP
1.32
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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