![CAS 623565-14-0 (Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester ) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/623565-14-0.gif)
CAS RN: 623565-14-0
(Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester )
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260523 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-171484
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
623565-14-0 / 2-O-ethyl 5-O-[(4-nitrophenyl)methyl] 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylate
Basic Information
CAS
623565-14-0
Multi CAS
No
Molecular Formula
C17H18N4O6
Molecular Weight
374.300000
Exact Mass
374.122634
InChI
InChI=1S/C17H18N4O6/c1-2-26-16(22)15-9-14-10-19(7-8-20(14)18-15)17(23)27-11-12-3-5-13(6-4-12)21(24)25/h3-6,9H,2,7-8,10-11H2,1H3
InChIKey
IIRGEIKLCGECFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
8
Molar refractivity
91.87
TPSA
116.8
LogP / Solubility
WLOGP
2.12
MLOGP
1.89
XLogP3
1.6
Consensus LogP
1.87
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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