2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester
TL;DR: 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester (CAS 77854-51-4) is a chemical compound with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-cyano-2-(4,6-dimethoxy-1H-1,3,5-triazin-2-ylidene)acetate
Also Known As: 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester, alpha-Cyano-4,6-dimethoxy-2(1H)-s-triazine-delta(sup 2,alpha)-acetic acid ethyl ester, ethyl (2Z)-2-cyano-2-(4,6-dimethoxy-1H-1,3,5-triazin-2-ylidene)acetate, Ethyl (2Z)-cyano(4,6-dimethoxy-1,3,5-triazin-2(1H)-ylidene)acetate, 2-Cyano-2-(4,6-dimethoxy-1,2-dihydro-1,3,5-triazin-2-ylidene)acetic acid ethyl ester
| Molecular Formula | C10H12N4O4 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | -0.10732 |
| Topological Polar Surface Area | 105.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08586 |
| Heavy Atoms | 18 |
| Complexity | 472.75958 |
Chemical Identifiers
| CAS Number | 77854-51-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C\1/NC(=NC(=N1)OC)OC)/C#N |
Product Overview
2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester (CAS 77854-51-4), with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol. IUPAC: ethyl (2Z)-2-cyano-2-(4,6-dimethoxy-1H-1,3,5-triazin-2-ylidene)acetate.
Chemical Property Profile of 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester
Property Insights of 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester
The XLogP value of -0.10732 indicates that 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester. Following Lipinski's Rule of Five, 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester has 1 hydrogen bond donor(s) and 8 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 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester?
The CAS number of 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester is 77854-51-4.
What is the molecular formula of 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester?
The molecular formula of 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester is C10H12N4O4.
What is the molecular weight of 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester?
The molecular weight of 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester is 252.09 g/mol.
Where can I buy 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester?
You can request a quote for 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-s-Triazine-delta(sup 2,alpha)-acetic acid, alpha-cyano-4,6-dimethoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.