CAS RN: 2385026-20-8
Indolizine-7-carboxamide
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS2385026-20-8
- Purity/Analytical Methods: >99.0%
2385026-20-8 / indolizine-7-carboxamide
Basic Information
CAS
2385026-20-8
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
C1=CN2C=CC(=CC2=C1)C(=O)N
InChI
InChI=1S/C9H8N2O/c10-9(12)7-3-5-11-4-1-2-8(11)6-7/h1-6H,(H2,10,12)
InChIKey
URGAFFAIKGXTJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.91
TPSA
47.5
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
1.4
Consensus LogP
1.12
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
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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