RefChem:327400
TL;DR: RefChem:327400 (CAS 79478-84-5) is a chemical compound with molecular formula C19H16ClN3O6 and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(4-chlorophenyl)-3-imidazol-1-yloxiran-2-yl]benzoate;nitric acid
Also Known As: Methyl 4-(2-(4-chlorophenyl)-3-(1H-imidazol-1-yl)oxiranyl)benzoate mononitrate, 1-(1,2-Epoxy-2-(4-chlorophenyl)-2-(4-methoxycarbonylphenyl)ethyl)imidazole nitrate, Benzoic acid, 4-(2-(4-chlorophenyl)-3-(1H-imidazol-1-yl)oxiranyl)-, methyl ester, mononitrate, methyl 4-[2-(4-chlorophenyl)-3-imidazol-1-yloxiran-2-yl]benzoate; nitric acid, Nitric acid--methyl 4-[2-(4-chlorophenyl)-3-(1H-imidazol-1-yl)oxiran-2-yl]benzoate (1/1)
| Molecular Formula | C19H16ClN3O6 |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 3.448 |
| Topological Polar Surface Area | 120.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.07275 |
| Heavy Atoms | 29 |
| Complexity | 987.79865 |
Chemical Identifiers
| CAS Number | 79478-84-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=CC=C(C=C4)Cl.[N+](=O)(O)[O-] |
Product Overview
RefChem:327400 (CAS 79478-84-5), with molecular formula C19H16ClN3O6 and molecular weight 417.07 g/mol. IUPAC: methyl 4-[2-(4-chlorophenyl)-3-imidazol-1-yloxiran-2-yl]benzoate;nitric acid.
Chemical Property Profile of RefChem:327400
Property Insights of RefChem:327400
The XLogP value of 3.448 indicates that RefChem:327400 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.02 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327400. Following Lipinski's Rule of Five, RefChem:327400 has 1 hydrogen bond donor(s) and 6 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 RefChem:327400?
The CAS number of RefChem:327400 is 79478-84-5.
What is the molecular formula of RefChem:327400?
The molecular formula of RefChem:327400 is C19H16ClN3O6.
What is the molecular weight of RefChem:327400?
The molecular weight of RefChem:327400 is 417.07 g/mol.
Where can I buy RefChem:327400?
You can request a quote for RefChem:327400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327400?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.