CAS RN: 81153-63-1
ETHYL 3-METHYL-1-PHENYLPYRAZOLE-5-CARBOXYLATE
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.20250420 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS81153-63-1
- Purity/Analytical Methods: >99.0%
81153-63-1 / ethyl 5-methyl-2-phenylpyrazole-3-carboxylate
Basic Information
CAS
81153-63-1
Multi CAS
No
Molecular Formula
C13H14N2O2
Molecular Weight
230.260000
Exact Mass
230.105528
InChI
InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-10(2)14-15(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKey
XAKCPDKGPSNLDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
64.26
TPSA
44.12
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.8
Consensus LogP
2.41
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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