![CAS 847744-18-7 3-(2-AMINO-5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0312488.gif)
CAS RN: 847744-18-7
3-(2-AMINO-5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPANOIC ACID
- Product code: SSC-192364
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
847744-18-7 / 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Basic Information
CAS
847744-18-7
Multi CAS
No
Molecular Formula
C10H13N5O2
Molecular Weight
235.240000
Exact Mass
235.106925
InChI
InChI=1S/C10H13N5O2/c1-5-7(3-4-8(16)17)6(2)15-10(12-5)13-9(11)14-15/h3-4H2,1-2H3,(H2,11,14)(H,16,17)
InChIKey
PDYNQGAMQMTOEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
60.63
TPSA
106.4
LogP / Solubility
WLOGP
0.34
MLOGP
0.3
XLogP3
0.3
Consensus LogP
0.31
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.91
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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