RefChem:348911
TL;DR: RefChem:348911 (CAS 7127-01-7) is a chemical compound with molecular formula C13H14ClFN2O2 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxylate;hydrochloride
Also Known As: DL-1-(p-Fluoro-1-phenethyl)imidazole-5-carboxylic acid methyl ester hydrochloride, Imidazole-5-carboxylic acid, 1-(p-fluoro-alpha-methylbenzyl)-, methyl ester, hydrochloride, DL-, methyl 3-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxylate hydrochloride, Methyl 1-[1-(4-fluorophenyl)ethyl]-1H-imidazole-5-carboxylate--hydrogen chloride (1/1), RefChem:348911
| Molecular Formula | C13H14ClFN2O2 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.8399 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.07278 |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 7127-01-7 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)F)N2C=NC=C2C(=O)OC.Cl |
| InChIKey | ZBSGROCEYPIZGB-UHFFFAOYSA-N |
Product Overview
RefChem:348911 (CAS 7127-01-7), with molecular formula C13H14ClFN2O2 and molecular weight 284.07 g/mol. IUPAC: methyl 3-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:348911
Property Insights of RefChem:348911
The XLogP value of 2.8399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:348911. With a topological polar surface area (TPSA) of 44.1 Ų, RefChem:348911 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:348911 has 1 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 RefChem:348911?
The CAS number of RefChem:348911 is 7127-01-7.
What is the molecular formula of RefChem:348911?
The molecular formula of RefChem:348911 is C13H14ClFN2O2.
What is the molecular weight of RefChem:348911?
The molecular weight of RefChem:348911 is 284.07 g/mol.
Where can I buy RefChem:348911?
You can request a quote for RefChem:348911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:348911?
Yes, KEHONG BIO provides custom synthesis services for RefChem:348911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.