diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole
TL;DR: diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole (CAS 107845-71-6) is a chemical compound with molecular formula C16H19N3O4 and molecular weight 317.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole
Also Known As: (C8-H7-N3.C8-H12.O4)x-, diethyl (Z)-but-2-enedioate; 1-ethenylbenzotriazole, 1H-Benzotriazole, 1-ethenyl-, polymer with (Z)-diethyl-2-butenedioate, 2-Butenedioic acid, diethyl ester, (Z)-, polymer with 1-ethenyl-1H-benzotriazole
Technical Specifications
| Molecular Formula | C16H19N3O4 |
| Molecular Weight | 317.13754 g/mol |
| XLogP | 2.2006 |
| Topological Polar Surface Area (TPSA) | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.13754 Da |
| Heavy Atoms | 23 |
| Complexity | 321.0 |
| SMILES | CCOC(=O)/C=C\C(=O)OCC.C=CN1C2=CC=CC=C2N=N1 |
| InChIKey | ZNMWIKIPEHAPQK-JXGYXAOLSA-N |
Chemical Property Profile of diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole
Property Insights of diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole
The XLogP value of 2.2006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole. Following Lipinski's Rule of Five, diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole?
The CAS number of diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole is 107845-71-6.
What is the molecular formula of diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole?
The molecular formula of diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole is C16H19N3O4.
What is the molecular weight of diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole?
The molecular weight of diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole is 317.13754 g/mol.
Where can I buy diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole?
You can request a quote for diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole?
Yes, CoreyChem provides custom synthesis services for diethyl (Z)-but-2-enedioate;1-ethenylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.