![CAS 779353-65-0 3-((5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/779353-65-0.gif)
CAS RN: 779353-65-0
3-((5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251108 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS779353-65-0
- Purity/Analytical Methods: >99.0%
779353-65-0 / 5-chloro-3-ethyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
Basic Information
CAS
779353-65-0
Multi CAS
Yes
Molecular Formula
C14H14CLN5O
Molecular Weight
303.750000
Exact Mass
303.088688
InChI
InChI=1S/C14H14ClN5O/c1-2-11-8-17-20-13(6-12(15)18-14(11)20)16-7-10-4-3-5-19(21)9-10/h3-6,8-9,16H,2,7H2,1H3
InChIKey
AAKJCBNEUOKKTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.1
TPSA
69.16
LogP / Solubility
WLOGP
2.19
MLOGP
1.94
XLogP3
1.8
Consensus LogP
1.98
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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