![CAS 161154-16-1 7-Chlorotetrazolo[1,5-a]quinoxalin-4(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/161154-16-1.gif)
CAS RN: 161154-16-1
7-Chlorotetrazolo[1,5-a]quinoxalin-4(5H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250502 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS161154-16-1
- Purity/Analytical Methods: >99.0%
161154-16-1 / 7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-one
Basic Information
CAS
161154-16-1
Multi CAS
No
Molecular Formula
C8H4ClN5O
Molecular Weight
221.600000
Exact Mass
221.010438
SMILES
C1=CC2=C(C=C1Cl)NC(=O)C3=NN=NN23
InChI
InChI=1S/C8H4ClN5O/c9-4-1-2-6-5(3-4)10-8(15)7-11-12-13-14(6)7/h1-3H,(H,10,15)
InChIKey
NLRTTWFBCBNVRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
5
H-bond donors
1
Molar refractivity
53.92
TPSA
75.94
LogP / Solubility
WLOGP
0.62
MLOGP
0.55
XLogP3
1.1
Consensus LogP
0.76
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4,6,7-TRIMETHOXY-1H-INDOLE-2-CARBOXYLIC ACID
- CAS RN: 161156-01-0
- Product Code: SSC-068884
-
-
Etalocib
- CAS RN: 161172-51-6
- Product Code: starshine_CAS161172-51-6
- Purity/Analytical method: >99.0%
-
-
1H-Inden-4-ol,7-fluoro-2,3-dihydro-(9CI)
- CAS RN: 161178-24-1
- Product Code: starshine_CAS161178-24-1
- Purity/Analytical method: >99.0%
