![CAS 1083196-30-8 methyl 5-nitrofuro[2,3-b]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1083196-30-8.gif)
CAS RN: 1083196-30-8
methyl 5-nitrofuro[2,3-b]pyridine-2-carboxylate
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.20250507 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1083196-30-8
- Purity/Analytical Methods: >99.0%
1083196-30-8 / methyl 5-nitrofuro[2,3-b]pyridine-2-carboxylate
methyl 5-nitrofuro[2,3-b]pyridine-2-carboxylate | MFCD11977220 | methyl5-nitrofuro[2,3-b]pyridine-2-carboxylate
Basic Information
CAS
1083196-30-8
Multi CAS
No
Molecular Formula
C9H6N2O5
Molecular Weight
222.150000
Exact Mass
222.027671
SMILES
COC(=O)C1=CC2=CC(=CN=C2O1)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O5/c1-15-9(12)7-3-5-2-6(11(13)14)4-10-8(5)16-7/h2-4H,1H3
InChIKey
LLMSASCUQOAXNG-UHFFFAOYSA-N
Synonyms
methyl 5-nitrofuro[2,3-b]pyridine-2-carboxylate
MFCD11977220
methyl5-nitrofuro[2,3-b]pyridine-2-carboxylate
SCHEMBL16734216
LLMSASCUQOAXNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
52
TPSA
95.47
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1.6
Consensus LogP
1.49
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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