![CAS 80709-78-0 Ethyl2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/80709-78-0.gif)
CAS RN: 80709-78-0
Ethyl2-methyl-4H-furo[3,2-b]pyrrole-5-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.20260319 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS80709-78-0
- Purity/Analytical Methods: >99.0%
80709-78-0 / ethyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
Basic Information
CAS
80709-78-0
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
InChI
InChI=1S/C10H11NO3/c1-3-13-10(12)8-5-9-7(11-8)4-6(2)14-9/h4-5,11H,3H2,1-2H3
InChIKey
GDOXDFUPXCOUGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
8
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.26
TPSA
55.23
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
2.2
Consensus LogP
2.14
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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