CAS RN: 60184-65-8
1H-pyrazole-3,4,5-tricarboxylate
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.20260501 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS60184-65-8
- Purity/Analytical Methods: >99.0%
60184-65-8 / triethyl 1H-pyrazole-3,4,5-tricarboxylate
Basic Information
CAS
60184-65-8
Multi CAS
No
Molecular Formula
C12H16N2O6
Molecular Weight
284.260000
Exact Mass
284.100836
InChI
InChI=1S/C12H16N2O6/c1-4-18-10(15)7-8(11(16)19-5-2)13-14-9(7)12(17)20-6-3/h4-6H2,1-3H3,(H,13,14)
InChIKey
NVDKYATZSTWKHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
66.46
TPSA
107.58
LogP / Solubility
WLOGP
0.94
MLOGP
0.84
XLogP3
1.5
Consensus LogP
1.09
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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