1H-Imidazole-1-octanoic acid, methyl ester
TL;DR: 1H-Imidazole-1-octanoic acid, methyl ester (CAS 72338-73-9) is a chemical compound with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-imidazol-1-yloctanoate
Also Known As: methyl 8-imidazol-1-yloctanoate, Methyl 8-(1H-imidazol-1-yl)octanoate, 1-(7-(methoxycarbonyl)heptyl)imidazole, Methyl 8-(1H-imidazol-1-yl)octanoate #, 1H-Imidazole-1-octanoic acid, methyl ester
| Molecular Formula | C12H20N2O2 |
|---|---|
| Molecular Weight | 224.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 224.15248 |
| Heavy Atoms | 16 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 72338-73-9 |
|---|---|
| SMILES | COC(=O)CCCCCCCN1C=CN=C1 |
| InChIKey | UOXSMRORCTUUHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Imidazole-1-octanoic acid, methyl ester (CAS 72338-73-9), with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol. IUPAC: methyl 8-imidazol-1-yloctanoate.
Chemical Property Profile of 1H-Imidazole-1-octanoic acid, methyl ester
Property Insights of 1H-Imidazole-1-octanoic acid, methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-octanoic acid, methyl ester. With a topological polar surface area (TPSA) of 44.1 Ų, 1H-Imidazole-1-octanoic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole-1-octanoic acid, methyl ester has 0 hydrogen bond donor(s) and 3 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-octanoic acid, methyl ester?
The CAS number of 1H-Imidazole-1-octanoic acid, methyl ester is 72338-73-9.
What is the molecular formula of 1H-Imidazole-1-octanoic acid, methyl ester?
The molecular formula of 1H-Imidazole-1-octanoic acid, methyl ester is C12H20N2O2.
What is the molecular weight of 1H-Imidazole-1-octanoic acid, methyl ester?
The molecular weight of 1H-Imidazole-1-octanoic acid, methyl ester is 224.15 g/mol.
Where can I buy 1H-Imidazole-1-octanoic acid, methyl ester?
You can request a quote for 1H-Imidazole-1-octanoic 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 1H-Imidazole-1-octanoic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-octanoic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.