1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate
TL;DR: 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate (CAS 79478-88-9) is a chemical compound with molecular formula C19H22Cl2N2O5 and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2S,3R)-3-(2,4-dichlorophenyl)-3-hexyloxiran-2-yl]imidazole;oxalic acid
Also Known As: trans-1-(3-(2,4-Dichlorophenyl)-3-hexyloxiranyl)-1H-imidazole, 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate, trans-1-(1,2-Epoxy-2-(2,4-dichlorophenyl)octyl)imidazole oxalate, 1-[(2R,3R)-3-(2,4-dichlorophenyl)-3-hexyloxiran-2-yl]imidazole; oxalic acid, 1-[(2S,3R)-3-(2,4-dichlorophenyl)-3-hexyloxiran-2-yl]imidazole; oxalic acid
| Molecular Formula | C19H22Cl2N2O5 |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 4.7402 |
| Topological Polar Surface Area | 104.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.09058 |
| Heavy Atoms | 28 |
| Complexity | 800.6603 |
Chemical Identifiers
| CAS Number | 79478-88-9 |
|---|---|
| SMILES | CCCCCC[C@]1([C@H](O1)N2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.C(=O)(C(=O)O)O |
Product Overview
1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate (CAS 79478-88-9), with molecular formula C19H22Cl2N2O5 and molecular weight 428.09 g/mol. IUPAC: 1-[(2S,3R)-3-(2,4-dichlorophenyl)-3-hexyloxiran-2-yl]imidazole;oxalic acid.
Chemical Property Profile of 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate
Property Insights of 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate
The XLogP value of 4.7402 indicates that 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate. Following Lipinski's Rule of Five, 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate has 2 hydrogen bond donor(s) and 4 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 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate?
The CAS number of 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate is 79478-88-9.
What is the molecular formula of 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate?
The molecular formula of 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate is C19H22Cl2N2O5.
What is the molecular weight of 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate?
The molecular weight of 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate is 428.09 g/mol.
Where can I buy 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate?
You can request a quote for 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, trans-, ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.