CAS RN: 70375-79-0
METHYL 1,5-DIPHENYL-1H-PYRAZOLE-3-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.20250217 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS70375-79-0
- Purity/Analytical Methods: >99.0%
70375-79-0 / methyl 1,5-diphenylpyrazole-3-carboxylate
Basic Information
CAS
70375-79-0
Multi CAS
Yes
Molecular Formula
C17H14N2O2
Molecular Weight
278.300000
Exact Mass
278.105528
InChI
InChI=1S/C17H14N2O2/c1-21-17(20)15-12-16(13-8-4-2-5-9-13)19(18-15)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
XDUCEEQKAOPMAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
80.34
TPSA
44.12
LogP / Solubility
WLOGP
3.33
MLOGP
2.94
XLogP3
3.7
Consensus LogP
3.32
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly 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)
-2.06
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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