CAS RN: 913376-56-4
1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic Acid
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.20250117 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-204301
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
913376-56-4 / 1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylic acid
Basic Information
CAS
913376-56-4
Multi CAS
No
Molecular Formula
C15H18N2O4
Molecular Weight
290.310000
Exact Mass
290.126657
InChI
InChI=1S/C15H18N2O4/c1-10-12(14(19)20)13(18)17(11-7-5-4-6-8-11)16(10)9-15(2,3)21/h4-8,21H,9H2,1-3H3,(H,19,20)
InChIKey
JFOCTAMIXFTZBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
78.02
TPSA
84.46
LogP / Solubility
WLOGP
1.42
MLOGP
1.26
XLogP3
2.2
Consensus LogP
1.63
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
AMG 458
- CAS RN: 913376-83-7
- Product Code: starshine_CAS913376-83-7
- Purity/Analytical method: >99.0%
-
-
3H-Pyrrolo[3,4-c]pyridin-3-one, 4-broMo-1,2-dihydro-
- CAS RN: 913393-94-9
- Product Code: SSC-204309
-
3,4,5-Trifluorobenzenesulfonamide
- CAS RN: 913472-55-6
- Product Code: starshine_CAS913472-55-6
- Purity/Analytical method: >99.0%
-
DO3AM-acetic acid
- CAS RN: 913528-04-8
- Product Code: starshine_CAS913528-04-8
- Purity/Analytical method: >99.0%
-
N-Cyclohexyl-7-chloro-1-[2-(4-morpholinyl)ethyl]quinolin-4(1H)-one-3-carboxamide
- CAS RN: 913534-05-1
- Product Code: starshine_CAS913534-05-1
- Purity/Analytical method: >99.0%
![CAS 913393-94-9 3H-Pyrrolo[3,4-c]pyridin-3-one, 4-broMo-1,2-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913393-94-9.gif)
![CAS 913534-05-1 N-Cyclohexyl-7-chloro-1-[2-(4-morpholinyl)ethyl]quinolin-4(1H)-one-3-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913534-05-1.gif)