![CAS 779353-63-8 3-ethylpyrazolo[1,5-a]pyrimidine-5,7(4H,6H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/779353-63-8.gif)
CAS RN: 779353-63-8
3-ethylpyrazolo[1,5-a]pyrimidine-5,7(4H,6H)-dione
- Product code: SSC-187503
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
779353-63-8 / 3-ethyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
Basic Information
CAS
779353-63-8
Multi CAS
No
Molecular Formula
C8H9N3O2
Molecular Weight
179.180000
Exact Mass
179.069477
InChI
InChI=1S/C8H9N3O2/c1-2-5-4-9-11-7(13)3-6(12)10-8(5)11/h4H,2-3H2,1H3,(H,10,12)
InChIKey
IACQMRWHKPJWEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.48
TPSA
63.99
LogP / Solubility
WLOGP
0.43
MLOGP
0.37
XLogP3
0.3
Consensus LogP
0.37
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 779353-64-9 Pyrazolo[1,5-a]pyrimidine, 5,7-dichloro-3-ethyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/779353-64-9.gif)
Pyrazolo[1,5-a]pyrimidine, 5,7-dichloro-3-ethyl- (9CI)
- CAS RN: 779353-64-9
- Product Code: SSC-187504
-
![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)
3-((5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
- CAS RN: 779353-65-0
- Product Code: starshine_CAS779353-65-0
- Purity/Analytical method: >99.0%
-
(1H-benzimidazol-5-ylmethyl)amine dihydrochloride
- CAS RN: 779353-78-5
- Product Code: starshine_CAS779353-78-5
- Purity/Analytical method: >99.0%
-
(R)-BoroLeu-(+)-Pinanediol-HCl
- CAS RN: 779357-85-6
- Product Code: starshine_CAS779357-85-6
- Purity/Analytical method: >99.0%
-
-
(S)-2-aMino-3-(4,5-diMethoxy-2-nitrobenzyloxy)propanoic acid
- CAS RN: 780009-55-4
- Product Code: SSC-187557