Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester
TL;DR: Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester (CAS 77854-52-5) is a chemical compound with molecular formula C14H15N5O5 and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-[(6E)-6-(1-cyano-2-ethoxy-2-oxoethylidene)-4-methoxy-1H-1,3,5-triazin-2-yl]acetate
Also Known As: Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester, 2,4(3H,5H)-s-Triazine-delta(sup 2,alpha),delta(sup 4,alpha')-diacetic acid, alpha,alpha'-dicyano-6-methoxy-, diethyl ester, ethyl 2-cyano-2-[(6E)-6-(1-cyano-2-ethoxy-2-oxoethylidene)-4-methoxy-1H-1,3,5-triazin-2-yl]acetate, RefChem:1059562, BRN 4583495
| Molecular Formula | C14H15N5O5 |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | -0.00834 |
| Topological Polar Surface Area | 146.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.10733 |
| Heavy Atoms | 24 |
| Complexity | 695.32416 |
Chemical Identifiers
| CAS Number | 77854-52-5 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1=NC(=N/C(=C(\C#N)/C(=O)OCC)/N1)OC |
Product Overview
Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester (CAS 77854-52-5), with molecular formula C14H15N5O5 and molecular weight 333.11 g/mol. IUPAC: ethyl 2-cyano-2-[(6E)-6-(1-cyano-2-ethoxy-2-oxoethylidene)-4-methoxy-1H-1,3,5-triazin-2-yl]acetate.
Chemical Property Profile of Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester
Property Insights of Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester
The XLogP value of -0.00834 indicates that Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.16 Ų indicates high polarity, suggesting Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester has 1 hydrogen bond donor(s) and 10 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 Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester?
The CAS number of Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester is 77854-52-5.
What is the molecular formula of Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester?
The molecular formula of Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester is C14H15N5O5.
What is the molecular weight of Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester?
The molecular weight of Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester is 333.11 g/mol.
Where can I buy Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester?
You can request a quote for Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis(cyano-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.