CAS RN: 943-37-3
ETHYL 5-NITRO-2-FUROATE
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.20250204 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS943-37-3
- Purity/Analytical Methods: >99.0%
943-37-3 / ethyl 5-nitrofuran-2-carboxylate
Basic Information
CAS
943-37-3
Multi CAS
Yes
Molecular Formula
C7H7NO5
Molecular Weight
185.130000
Exact Mass
185.032422
InChI
InChI=1S/C7H7NO5/c1-2-12-7(9)5-3-4-6(13-5)8(10)11/h3-4H,2H2,1H3
InChIKey
JMNXLAQKIHVFIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
41.32
TPSA
82.58
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
1.7
Consensus LogP
1.42
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
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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