CAS RN: 183288-47-3
5-(piperazin-1-yl)benzofuran-2-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.20250314 | 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-084808
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 |
183288-47-3 / 5-piperazin-1-yl-1-benzofuran-2-carboxylic acid
Basic Information
CAS
183288-47-3
Multi CAS
No
Molecular Formula
C13H14N2O3
Molecular Weight
246.260000
Exact Mass
246.100442
SMILES
C1CN(CCN1)C2=CC3=C(C=C2)OC(=C3)C(=O)O
InChI
InChI=1S/C13H14N2O3/c16-13(17)12-8-9-7-10(1-2-11(9)18-12)15-5-3-14-4-6-15/h1-2,7-8,14H,3-6H2,(H,16,17)
InChIKey
XSDYUFFJOJVGMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.26
TPSA
65.71
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
-0.4
Consensus LogP
0.83
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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