CAS RN: 957487-32-0
5-(1-ETHYL-5-METHYL-1 H-PYRAZOL-4-YL)-ISOXAZOLE-3-CARBOXYLIC ACID
- Product code: SSC-211420
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
957487-32-0 / 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
Basic Information
CAS
957487-32-0
Multi CAS
No
Molecular Formula
C10H11N3O3
Molecular Weight
221.210000
Exact Mass
221.080041
InChI
InChI=1S/C10H11N3O3/c1-3-13-6(2)7(5-11-13)9-4-8(10(14)15)12-16-9/h4-5H,3H2,1-2H3,(H,14,15)
InChIKey
ICZFVKOUEQVVPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.09
TPSA
81.15
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
0.9
Consensus LogP
1.28
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 957494-34-7 [6-(1,4-Dioxoamyl)]Hexakis(6-succinyl)cyclo(1,4-alpha-D-altroheptaose) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[6-(1,4-Dioxoamyl)]Hexakis(6-succinyl)cyclo(1,4-alpha-D-altroheptaose)
- CAS RN: 957494-34-7
- Product Code: starshine_CAS957494-34-7
- Purity/Analytical method: >99.0%
-
5-CYCLOPROPYL-2-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
- CAS RN: 957500-07-1
- Product Code: SSC-211421
-
-
1-AMINO-2,4-IMIDAZOLIDINEDIONE-13C3
- CAS RN: 957509-31-8
- Product Code: starshine_CAS957509-31-8
- Purity/Analytical method: >99.0%
-
2-NITROBENZALDEHYDE SEMICARBAZONE-13C, 15N2
- CAS RN: 957509-32-9
- Product Code: starshine_CAS957509-32-9
- Purity/Analytical method: >99.0%
-
![CAS 957494-34-7 [6-(1,4-Dioxoamyl)]Hexakis(6-succinyl)cyclo(1,4-alpha-D-altroheptaose) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/957494-34-7.gif)
