CAS RN: 1823241-41-3
ethyl3-amino-7-bromobenzofuran-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.20250706 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823241-41-3
- Purity/Analytical Methods: >99.0%
1823241-41-3 / ethyl 3-amino-7-bromo-1-benzofuran-2-carboxylate
Basic Information
CAS
1823241-41-3
Multi CAS
No
Molecular Formula
C11H10BrNO3
Molecular Weight
284.110000
Exact Mass
282.984410
SMILES
CCOC(=O)C1=C(C2=C(O1)C(=CC=C2)Br)N
InChI
InChI=1S/C11H10BrNO3/c1-2-15-11(14)10-8(13)6-4-3-5-7(12)9(6)16-10/h3-5H,2,13H2,1H3
InChIKey
GCAPXACGZIBUJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.28
TPSA
65.46
LogP / Solubility
WLOGP
2.95
MLOGP
2.61
XLogP3
3.4
Consensus LogP
2.99
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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