![CAS 1017384-80-3 4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]-4-oxobutanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82556598.gif)
CAS RN: 1017384-80-3
4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]-4-oxobutanoic 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.20260609 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-002690
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 | Shenzhen | Inquiry |
1017384-80-3 / 4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxobutanoic acid
4-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]-4-oxobutanoic acid | 4-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)-4-oxobutanoic acid | 4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxobutanoic acid
Basic Information
CAS
1017384-80-3
Multi CAS
No
Molecular Formula
C16H17FN2O4
Molecular Weight
320.310000
Exact Mass
320.117235
SMILES
C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)C(=O)CCC(=O)O
InChI
InChI=1S/C16H17FN2O4/c17-11-1-2-12-13(9-11)23-18-16(12)10-5-7-19(8-6-10)14(20)3-4-15(21)22/h1-2,9-10H,3-8H2,(H,21,22)
InChIKey
MYOCZUKWKLGQJB-UHFFFAOYSA-N
Synonyms
4-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]-4-oxobutanoic acid
4-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)-4-oxobutanoic acid
4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxobutanoic acid
MFCD10007609
1-piperidinebutanoic acid, 4-(6-fluoro-1,2-benzisoxazol-3-yl)-gamma-oxo-
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.39
TPSA
83.64
LogP / Solubility
WLOGP
2.54
MLOGP
2.25
XLogP3
1.3
Consensus LogP
2.03
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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