![CAS 1251017-01-2 4-Chloro-[1,2,4]Triazolo[4,3-A]Quinoxaline-1-Carboxylic Acid Ethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251017-01-2.gif)
CAS RN: 1251017-01-2
4-Chloro-[1,2,4]Triazolo[4,3-A]Quinoxaline-1-Carboxylic Acid Ethyl Ester
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.20251205 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1251017-01-2
- Purity/Analytical Methods: >99.0%
1251017-01-2 / ethyl 4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline-1-carboxylate
Basic Information
CAS
1251017-01-2
Multi CAS
No
Molecular Formula
C12H9ClN4O2
Molecular Weight
276.680000
Exact Mass
276.041403
SMILES
CCOC(=O)C1=NN=C2N1C3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C12H9ClN4O2/c1-2-19-12(18)11-16-15-10-9(13)14-7-5-3-4-6-8(7)17(10)11/h3-6H,2H2,1H3
InChIKey
METOLEXRCFYQHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
69.25
TPSA
69.38
LogP / Solubility
WLOGP
2.11
MLOGP
1.86
XLogP3
3
Consensus LogP
2.32
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1251017-31-8 trans-1,3,3a,4,5,9b-Hexahydro-pyrrolo[3,4-c]quinoline-2-carboxylic acid tert-butyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
trans-1,3,3a,4,5,9b-Hexahydro-pyrrolo[3,4-c]quinoline-2-carboxylic acid tert-butyl ester
- CAS RN: 1251017-31-8
- Product Code: starshine_CAS1251017-31-8
- Purity/Analytical method: >99.0%
-
5-Hydroxymethyl-5,6-Dihydro-4H,8H-1,3A,7-Triaza-Azulene-7-Carboxylic Acid Tert-Butyl Ester(WX140186)
- CAS RN: 1251017-49-8
- Product Code: starshine_CAS1251017-49-8
- Purity/Analytical method: >99.0%
-
7,8-Dihydro-4H,6H-1,5,8A-Triaza-Azulene-5,7-Dicarboxylic Acid 5-Tert-Butyl Ester(WX140191)
- CAS RN: 1251017-61-4
- Product Code: starshine_CAS1251017-61-4
- Purity/Analytical method: >99.0%
-
3,6-Diaza-bicyclo[3.1.1]heptane-3-carboxylic acid tert-butyl ester
- CAS RN: 1251017-66-9
- Product Code: SSC-029738
-
[3,3′]Biazetidinyl-1-carboxylicacidtert-butylester
- CAS RN: 1251018-87-7
- Product Code: SSC-029739
-
Tert-Butyl 3-(Pyrrolidin-3-Yl)Azetidine-1-Carboxylate
- CAS RN: 1251019-03-0
- Product Code: SSC-029740
![CAS 1251017-31-8 trans-1,3,3a,4,5,9b-Hexahydro-pyrrolo[3,4-c]quinoline-2-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251017-31-8.gif)
![CAS 1251017-66-9 3,6-Diaza-bicyclo[3.1.1]heptane-3-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251017-66-9.gif)
![CAS 1251018-87-7 [3,3′]Biazetidinyl-1-carboxylicacidtert-butylester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251018-87-7.gif)
