CAS RN: 346691-38-1
N-(4-butylphenyl)-5-nitrofuran-2-carboxamide
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250107 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250319 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260701 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260318 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260317 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250929 | 5mg / 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS346691-38-1
- Purity/Analytical Methods: >99.0%
346691-38-1 / N-(4-butylphenyl)-5-nitrofuran-2-carboxamide
Basic Information
CAS
346691-38-1
Multi CAS
No
Molecular Formula
C15H16N2O4
Molecular Weight
288.300000
Exact Mass
288.111007
InChI
InChI=1S/C15H16N2O4/c1-2-3-4-11-5-7-12(8-6-11)16-15(18)13-9-10-14(21-13)17(19)20/h5-10H,2-4H2,1H3,(H,16,18)
InChIKey
QMVOHFICEFYHMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.37
TPSA
85.38
LogP / Solubility
WLOGP
3.78
MLOGP
3.34
XLogP3
4.2
Consensus LogP
3.77
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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