己酸乙酯衍生物
TL;DR: 己酸乙酯衍生物 (CAS 147056-66-4) is a chemical compound with molecular formula C20H27N11O4 and molecular weight 485.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己酸乙酯衍生物
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
| Molecular Formula | C20H27N11O4 |
|---|---|
| Molecular Weight | 485.22 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.22476 |
| Heavy Atoms | 35 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 147056-66-4 |
|---|---|
| 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 Overview
己酸乙酯衍生物 (CAS 147056-66-4), with molecular formula C20H27N11O4 and molecular weight 485.22 g/mol. IUPAC: N-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide.
Chemical Property Profile of 己酸乙酯衍生物
Property Insights of 己酸乙酯衍生物
The XLogP value of -1.6 indicates that 己酸乙酯衍生物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting 己酸乙酯衍生物 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 己酸乙酯衍生物 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
Frequently Asked Questions
What is the CAS number of 己酸乙酯衍生物?
The CAS number of 己酸乙酯衍生物 is 147056-66-4.
What is the molecular formula of 己酸乙酯衍生物?
The molecular formula of 己酸乙酯衍生物 is C20H27N11O4.
What is the molecular weight of 己酸乙酯衍生物?
The molecular weight of 己酸乙酯衍生物 is 485.22 g/mol.
Where can I buy 己酸乙酯衍生物?
You can request a quote for 己酸乙酯衍生物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己酸乙酯衍生物?
Yes, KEHONG BIO provides custom synthesis services for 己酸乙酯衍生物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.