![CAS 19375-62-3 ETHYL 5-AMINO-1-[(ETHYLAMINO)CARBONOTHIOYL]-1H-PYRAZOLE-4-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/19375-62-3.gif)
CAS RN: 19375-62-3
ETHYL 5-AMINO-1-[(ETHYLAMINO)CARBONOTHIOYL]-1H-PYRAZOLE-4-CARBOXYLATE
- Product code: SSC-091540
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
19375-62-3 / ethyl 5-amino-1-(ethylcarbamothioyl)pyrazole-4-carboxylate
Basic Information
CAS
19375-62-3
Multi CAS
No
Molecular Formula
C9H14N4O2S
Molecular Weight
242.300000
Exact Mass
242.083747
SMILES
CCNC(=S)N1C(=C(C=N1)C(=O)OCC)N
InChI
InChI=1S/C9H14N4O2S/c1-3-11-9(16)13-7(10)6(5-12-13)8(14)15-4-2/h5H,3-4,10H2,1-2H3,(H,11,16)
InChIKey
PXFQGBKUXITKEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
64.27
TPSA
82.17
LogP / Solubility
WLOGP
0.38
MLOGP
0.34
XLogP3
1.3
Consensus LogP
0.67
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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