![CAS 923216-53-9 3-(1-METHYL-4-OXO-1,4-DIHYDRO-5H-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2796213.gif)
CAS RN: 923216-53-9
3-(1-METHYL-4-OXO-1,4-DIHYDRO-5H-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)PROPANOIC ACID
- Product code: SSC-205936
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | >95% | 0 Out of Stock | Beijing | Inquiry |
923216-53-9 / 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoic acid
Basic Information
CAS
923216-53-9
Multi CAS
No
Molecular Formula
C9H10N4O3
Molecular Weight
222.200000
Exact Mass
222.075290
InChI
InChI=1S/C9H10N4O3/c1-12-8-6(4-11-12)9(16)13(5-10-8)3-2-7(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKey
JTHJOYJSCZWPGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
55.02
TPSA
90.01
LogP / Solubility
WLOGP
-0.4
MLOGP
-0.35
XLogP3
-1
Consensus LogP
-0.58
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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