![CAS 234-95-7 pyrrolo[1,2-a]quinoxaline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/234-95-7.gif)
CAS RN: 234-95-7
pyrrolo[1,2-a]quinoxaline
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS234-95-7
- Purity/Analytical Methods: >99.0%
234-95-7 / pyrrolo[1,2-a]quinoxaline
Basic Information
CAS
234-95-7
Multi CAS
No
Molecular Formula
C11H8N2
Molecular Weight
168.190000
Exact Mass
168.068748
SMILES
C1=CC=C2C(=C1)N=CC3=CC=CN32
InChI
InChI=1S/C11H8N2/c1-2-6-11-10(5-1)12-8-9-4-3-7-13(9)11/h1-8H
InChIKey
IEOUSWADWJLLCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
13
H-bond acceptors
2
Molar refractivity
52.7
TPSA
17.3
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.9
Consensus LogP
2.53
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
Cevane-3,6,20-triol, (3b,5a,6b)-
- CAS RN: 23496-43-7
- Product Code: starshine_CAS23496-43-7
- Purity/Analytical method: >99.0%
-
-
4-Piperidinone, 1-(4-nitrophenyl)-
- CAS RN: 23499-01-6
- Product Code: starshine_CAS23499-01-6
- Purity/Analytical method: >99.0%
-
