![CAS 956751-81-8 2-[5-AMINO-3-(2-METHYL-3-FURYL)-1H-PYRAZOL-1-YL]ETHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2457125.gif)
CAS RN: 956751-81-8
2-[5-AMINO-3-(2-METHYL-3-FURYL)-1H-PYRAZOL-1-YL]ETHANOL
- Product code: SSC-211239
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 | Shanghai | Inquiry |
956751-81-8 / 2-[5-amino-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
Basic Information
CAS
956751-81-8
Multi CAS
No
Molecular Formula
C10H13N3O2
Molecular Weight
207.230000
Exact Mass
207.100777
InChI
InChI=1S/C10H13N3O2/c1-7-8(2-5-15-7)9-6-10(11)13(12-9)3-4-14/h2,5-6,14H,3-4,11H2,1H3
InChIKey
SBLMWLKNPUCOPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
56.16
TPSA
77.21
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
0.3
Consensus LogP
0.74
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 956769-09-8 2-CHLORO-N-[1-(2-CHLOROBENZYL)-1H-PYRAZOL-5-YL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1424724.gif)
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