4-Fluoroimidazole-5-propionic acid, methyl ester
TL;DR: 4-Fluoroimidazole-5-propionic acid, methyl ester (CAS 959293-10-8) is a chemical compound with molecular formula C7H9FN2O2 and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-fluoro-1H-imidazol-5-yl)propanoate
Also Known As: 4-Fluoroimidazole-5-propionic acid, methyl ester, Methyl 3-(4-fluoro-1H-imidazol-5-yl)propanoate, 1H-Imidazole-4-propanoicacid,5-fluoro-,methylester, Methyl 3-(4-fluoro-1H-imidazol-5-yl)propanoate #, 1H-Imidazole-4-propanoic acid, 5-fluoro-, methyl ester
| Molecular Formula | C7H9FN2O2 |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.0648 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 959293-10-8 |
|---|---|
| SMILES | COC(=O)CCC1=C(N=CN1)F |
| InChIKey | KPPGSNIOSZQBKS-UHFFFAOYSA-N |
Product Overview
4-Fluoroimidazole-5-propionic acid, methyl ester (CAS 959293-10-8), with molecular formula C7H9FN2O2 and molecular weight 172.06 g/mol. IUPAC: methyl 3-(4-fluoro-1H-imidazol-5-yl)propanoate.
Chemical Property Profile of 4-Fluoroimidazole-5-propionic acid, methyl ester
Property Insights of 4-Fluoroimidazole-5-propionic acid, methyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoroimidazole-5-propionic acid, methyl ester. With a topological polar surface area (TPSA) of 55.0 Ų, 4-Fluoroimidazole-5-propionic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoroimidazole-5-propionic acid, methyl ester 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 4-Fluoroimidazole-5-propionic acid, methyl ester?
The CAS number of 4-Fluoroimidazole-5-propionic acid, methyl ester is 959293-10-8.
What is the molecular formula of 4-Fluoroimidazole-5-propionic acid, methyl ester?
The molecular formula of 4-Fluoroimidazole-5-propionic acid, methyl ester is C7H9FN2O2.
What is the molecular weight of 4-Fluoroimidazole-5-propionic acid, methyl ester?
The molecular weight of 4-Fluoroimidazole-5-propionic acid, methyl ester is 172.06 g/mol.
Where can I buy 4-Fluoroimidazole-5-propionic acid, methyl ester?
You can request a quote for 4-Fluoroimidazole-5-propionic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoroimidazole-5-propionic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoroimidazole-5-propionic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.