草酸2-辛基-1-咪唑酯
TL;DR: 草酸2-辛基-1-咪唑酯 (CAS 69928-39-8) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草酸2-辛基-1-咪唑酯
2-(2-octylimidazol-1-yl)oxy-2-oxoacetic acid
Also Known As: 2-Octyldihydroglyoxaline acid oxalate, OXALIC ACID, 2-OCTYL-1-IMIDAZOLYL ESTER, 2-octyl-1H-imidazol-1-yl hydrogen oxalate, 2-(2-octylimidazol-1-yl)oxy-2-oxoacetic acid, Oxalic acid 1-(2-octyl-1H-imidazol-1-yl) ester
| Molecular Formula | C13H20N2O4 |
|---|---|
| Molecular Weight | 268.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 268.1423 |
| Heavy Atoms | 19 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 69928-39-8 |
|---|---|
| SMILES | CCCCCCCCC1=NC=CN1OC(=O)C(=O)O |
| InChIKey | QLTBHWUAJLAJMI-UHFFFAOYSA-N |
Product Overview
草酸2-辛基-1-咪唑酯 (CAS 69928-39-8), with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol. IUPAC: 2-(2-octylimidazol-1-yl)oxy-2-oxoacetic acid.
Chemical Property Profile of 草酸2-辛基-1-咪唑酯
Property Insights of 草酸2-辛基-1-咪唑酯
The XLogP value of 4.1 indicates that 草酸2-辛基-1-咪唑酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 草酸2-辛基-1-咪唑酯. Following Lipinski's Rule of Five, 草酸2-辛基-1-咪唑酯 has 1 hydrogen bond donor(s) and 5 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 草酸2-辛基-1-咪唑酯?
The CAS number of 草酸2-辛基-1-咪唑酯 is 69928-39-8.
What is the molecular formula of 草酸2-辛基-1-咪唑酯?
The molecular formula of 草酸2-辛基-1-咪唑酯 is C13H20N2O4.
What is the molecular weight of 草酸2-辛基-1-咪唑酯?
The molecular weight of 草酸2-辛基-1-咪唑酯 is 268.14 g/mol.
Where can I buy 草酸2-辛基-1-咪唑酯?
You can request a quote for 草酸2-辛基-1-咪唑酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草酸2-辛基-1-咪唑酯?
Yes, KEHONG BIO provides custom synthesis services for 草酸2-辛基-1-咪唑酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.