![CAS 1203499-00-6 1-(Furo[3,2-b]pyridin-6-yl)ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1203499-00-6.gif)
CAS RN: 1203499-00-6
1-(Furo[3,2-b]pyridin-6-yl)ethanone
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.20260213 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1203499-00-6
- Purity/Analytical Methods: >99.0%
1203499-00-6 / 1-furo[3,2-b]pyridin-6-ylethanone
1-(Furo[3,2-b]pyridin-6-yl)ethanone | 1-furo[3,2-b]pyridin-6-ylethanone | MFCD13563103
Basic Information
CAS
1203499-00-6
Multi CAS
No
Molecular Formula
C9H7NO2
Molecular Weight
161.160000
Exact Mass
161.047678
SMILES
CC(=O)C1=CC2=C(C=CO2)N=C1
InChI
InChI=1S/C9H7NO2/c1-6(11)7-4-9-8(10-5-7)2-3-12-9/h2-5H,1H3
InChIKey
IYGXFOJTFQFSMM-UHFFFAOYSA-N
Synonyms
1-(Furo[3,2-b]pyridin-6-yl)ethanone
1-furo[3,2-b]pyridin-6-ylethanone
MFCD13563103
1-(Furo[3,2-b]pyridin-6-yl)ethan-1-one
1-(Furo(3,2-b)pyridin-6-yl)ethanone
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.01
TPSA
43.1
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
1
Consensus LogP
1.6
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-2.26
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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