1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester
TL;DR: 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester (CAS 37539-91-6) is a chemical compound with molecular formula C12H10ClN3O2 and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-3-phenyl-1,2,4-triazine-6-carboxylate
Also Known As: ethyl 5-chloro-3-phenyl-1,2,4-triazine-6-carboxylate, 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester, 5-chloro-3-phenyl-1,2,4-triazine-6-carboxylic acid ethyl ester, 1,2,4-Triazine-6-carboxylicacid, 5-chloro-3-phenyl-, ethyl ester, 1,2,4-Triazine-6-carboxylic acid,5-chloro-3-phenyl-,ethyl ester
| Molecular Formula | C12H10ClN3O2 |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.04614 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 37539-91-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)Cl |
| InChIKey | IJRDJWBRHHGGNS-UHFFFAOYSA-N |
Product Overview
1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester (CAS 37539-91-6), with molecular formula C12H10ClN3O2 and molecular weight 263.05 g/mol. IUPAC: ethyl 5-chloro-3-phenyl-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester
Property Insights of 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester. Following Lipinski's Rule of Five, 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester?
The CAS number of 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester is 37539-91-6.
What is the molecular formula of 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester?
The molecular formula of 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester is C12H10ClN3O2.
What is the molecular weight of 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester?
The molecular weight of 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester is 263.05 g/mol.
Where can I buy 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester?
You can request a quote for 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.