CAS RN: 1632285-97-2
6-chloroindolizine
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS1632285-97-2
- Purity/Analytical Methods: >99.0%
1632285-97-2 / 6-chloroindolizine
Basic Information
CAS
1632285-97-2
Multi CAS
No
Molecular Formula
C8H6ClN
Molecular Weight
151.590000
Exact Mass
151.018877
SMILES
C1=CN2C=C(C=CC2=C1)Cl
InChI
InChI=1S/C8H6ClN/c9-7-3-4-8-2-1-5-10(8)6-7/h1-6H
InChIKey
MSNSGOOTOLRXBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
1
Molar refractivity
42.41
TPSA
4.41
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
3.1
Consensus LogP
2.66
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-1.8
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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