CAS RN: 886444-10-6
Methyl 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-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.20250520 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS886444-10-6
- Purity/Analytical Methods: >99.0%
886444-10-6 / methyl 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzoate
Basic Information
CAS
886444-10-6
Multi CAS
Yes
Molecular Formula
C21H16N4O2
Molecular Weight
356.400000
Exact Mass
356.127326
InChI
InChI=1S/C21H16N4O2/c1-27-21(26)15-7-5-14(6-8-15)19-12-16(9-11-23-19)17-13-24-25-20(17)18-4-2-3-10-22-18/h2-13H,1H3,(H,24,25)
InChIKey
OWNLAEXAPHTKPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
23
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
101.83
TPSA
80.76
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
2.9
Consensus LogP
3.47
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
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
No
Synthetic Accessibility
3
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