CAS RN: 6498-02-8
ETHYL 1,2,4-TRIAZINE-3-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-174627
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
6498-02-8 / ethyl 1,2,4-triazine-3-carboxylate
Basic Information
CAS
6498-02-8
Multi CAS
No
Molecular Formula
C6H7N3O2
Molecular Weight
153.140000
Exact Mass
153.053826
InChI
InChI=1S/C6H7N3O2/c1-2-11-6(10)5-7-3-4-8-9-5/h3-4H,2H2,1H3
InChIKey
BSPOWIFCNQWLIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
35.78
TPSA
64.97
LogP / Solubility
WLOGP
0.05
MLOGP
0.04
XLogP3
-0.3
Consensus LogP
-0.07
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
Class (SILICOS-IT)
Very 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)
-3.62
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
-
![CAS 6499/12/3 [[(4-METHYLPIPERIDIN-1-YL)CARBONOTHIOYL]THIO]ACETIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[[(4-METHYLPIPERIDIN-1-YL)CARBONOTHIOYL]THIO]ACETIC ACID
- CAS RN: 6499/12/3
- Product Code: SSC-174640
-
L-Leucyl-L-Leucine methyl ester (hydrochloride)
- CAS RN: 6491-83-4
- Product Code: SSC-174574
-
6-chloro-2-(6-chloro-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one
- CAS RN: 6492-68-8
- Product Code: SSC-174582
-
-
2-(6-methyl-2-quinolyl)-1H-indene-1,3(2H)-dione
- CAS RN: 6493-58-9
- Product Code: starshine_CAS6493-58-9
- Purity/Analytical method: >99.0%
-
4-Methyl-1,2,3,6-tetrahydrobenzoic acid methyl ester
- CAS RN: 6493-79-4
- Product Code: SSC-174589
![CAS 6499/12/3 [[(4-METHYLPIPERIDIN-1-YL)CARBONOTHIOYL]THIO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6499-12-3.gif)
![CAS 6492-68-8 6-chloro-2-(6-chloro-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6492-68-8.gif)
