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CAS RN: 17698-14-5
N-hydroxyfuran-2-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS17698-14-5
- Purity/Analytical Methods: >99.0%
17698-14-5 / N-hydroxyfuran-2-carboxamide
Basic Information
CAS
17698-14-5
Multi CAS
No
Molecular Formula
C5H5NO3
Molecular Weight
127.100000
Exact Mass
127.026943
SMILES
C1=COC(=C1)C(=O)NO
InChI
InChI=1S/C5H5NO3/c7-5(6-8)4-2-1-3-9-4/h1-3,8H,(H,6,7)
InChIKey
KTHCAJSGBFXFKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
27.96
TPSA
62.47
LogP / Solubility
WLOGP
0.4
MLOGP
0.34
XLogP3
-0.3
Consensus LogP
0.15
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
Class (SILICOS-IT)
Very 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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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