CAS RN: 89776-75-0
5-PROPYL-ISOXAZOLE-3-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.20260403 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS89776-75-0
- Purity/Analytical Methods: >99.0%
89776-75-0 / 5-propyl-1,2-oxazole-3-carboxylic acid
Basic Information
CAS
89776-75-0
Multi CAS
Yes
Molecular Formula
C7H9NO3
Molecular Weight
155.150000
Exact Mass
155.058243
InChI
InChI=1S/C7H9NO3/c1-2-3-5-4-6(7(9)10)8-11-5/h4H,2-3H2,1H3,(H,9,10)
InChIKey
ZXWHSBZHRVKCGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.46
TPSA
63.33
LogP / Solubility
WLOGP
1.33
MLOGP
1.16
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 89781-52-2
- Product Code: starshine_CAS89781-52-2
- Purity/Analytical method: >99.0%
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