![CAS 1383927-19-2 ETHYL 4-(4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)BENZOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1383927-19-2.gif)
CAS RN: 1383927-19-2
ETHYL 4-(4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)BENZOATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260406 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-048307
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 |
1383927-19-2 / ethyl 4-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)benzoate
Basic Information
CAS
1383927-19-2
Multi CAS
No
Molecular Formula
C14H11ClN4O2
Molecular Weight
302.710000
Exact Mass
302.057053
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)Cl
InChI
InChI=1S/C14H11ClN4O2/c1-2-21-14(20)9-3-5-10(6-4-9)19-13-11(7-18-19)12(15)16-8-17-13/h3-8H,2H2,1H3
InChIKey
VLJVVLSFEQKDIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
77.63
TPSA
69.9
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
3
Consensus LogP
2.66
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 1383982-64-6 Dispiro[cyclohexane-1,2′-[2H]indene-1′(3’H),2”-[2H]iMidazol]-4”-aMine, 4-Methoxy-5”-Methyl-6′-[5-(1-propyn-1-yl)-3-pyridinyl]-, (1α,1’R,4β)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1383982-64-6.gif)