3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate
TL;DR: 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate (CAS 83337-80-8) is a chemical compound with molecular formula C17H18Cl2N2O6 and molecular weight 416.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol;oxalic acid
Also Known As: 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate, 1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-alpha-((2-propenyloxy)methyl)-, ethanedioate salt, 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxy-propan-2-ol; oxalic acid, 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol,oxalic acid, 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol; oxalic acid
| Molecular Formula | C17H18Cl2N2O6 |
|---|---|
| Molecular Weight | 416.05 g/mol |
| LogP | 2.4359 |
| Topological Polar Surface Area | 121.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.0542 |
| Heavy Atoms | 27 |
| Complexity | 769.7358 |
Chemical Identifiers
| CAS Number | 83337-80-8 |
|---|---|
| SMILES | C=CCOCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O.C(=O)(C(=O)O)O |
Product Overview
3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate (CAS 83337-80-8), with molecular formula C17H18Cl2N2O6 and molecular weight 416.05 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol;oxalic acid.
Chemical Property Profile of 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate
Property Insights of 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate
The XLogP value of 2.4359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate. The TPSA of 121.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate. Following Lipinski's Rule of Five, 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate has 3 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 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate?
The CAS number of 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate is 83337-80-8.
What is the molecular formula of 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate?
The molecular formula of 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate is C17H18Cl2N2O6.
What is the molecular weight of 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate?
The molecular weight of 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate is 416.05 g/mol.
Where can I buy 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate?
You can request a quote for 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyloxy-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.