ETHYL HEXANOATE
TL;DR: ETHYL HEXANOATE (CAS 147056-66-4) is a chemical compound with molecular formula C20H27N11O4 and molecular weight 485.22476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
己酸乙酯
N-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide
Also Known As: ETHYL HEXANOATE, N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-4-(((4-(formylamino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-1-methyl-1H-imidazole-2-carboxamide, n-{2-[(2-{[2-(dimethylamino)ethyl]carbamoyl}-1-methyl-1h-imidazol-4-yl)carbamoyl]-1-methyl-1h-imidazol-4-yl}-4-(formylamino)-1-methyl-1h-imidazole-2-carboxamide, [2-({2-[(2-{[2-(Dimethylamino)ethyl]carbamoyl}-1-methyl-1H-imidazol-4-yl)carbamoyl]-1-methyl-1H-imidazol-4-yl}carbamoyl)-1-methyl-1H-imidazol-4-yl]methanimidic acid, 1-Methyl-4-[[[4-[[(4-formylamino-1-methyl-1H-imidazol-2-yl)carbonyl]amino]-1-methyl-1H-imidazol-2-yl]carbonyl]amino]-N-[2-(dimethylamino)ethyl]-1H-imidazole-2-carboxamide
Technical Specifications
| Molecular Formula | C20H27N11O4 |
| Molecular Weight | 485.22476 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.22476 Da |
| Heavy Atoms | 35 |
| Complexity | 784.0 |
| SMILES | CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCN(C)C)C)C)NC=O |
| InChIKey | PFRKDKQPQSBYQX-UHFFFAOYSA-N |
Product Description
Applications: ETHYL HEXANOATE is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
ETHYL HEXANOATE is a fine chemical identified by CAS number 147056-66-4 and the molecular formula C20H27N11O4 and a molecular weight of 485.22 g/mol. Synonyms include ETHYL HEXANOATE and N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-4-(((4-(formylamino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-1-methyl-1H-imidazole-2-carboxamide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of ETHYL HEXANOATE
Property Insights of ETHYL HEXANOATE
The XLogP value of -1.6 indicates that ETHYL HEXANOATE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting ETHYL HEXANOATE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ETHYL HEXANOATE has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ETHYL HEXANOATE?
The CAS number of ETHYL HEXANOATE is 147056-66-4.
What is the molecular formula of ETHYL HEXANOATE?
The molecular formula of ETHYL HEXANOATE is C20H27N11O4.
What is the molecular weight of ETHYL HEXANOATE?
The molecular weight of ETHYL HEXANOATE is 485.22476 g/mol.
What are the applications of ETHYL HEXANOATE?
ETHYL HEXANOATE is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy ETHYL HEXANOATE?
You can request a quote for ETHYL HEXANOATE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ETHYL HEXANOATE?
Yes, CoreyChem provides custom synthesis services for ETHYL HEXANOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.