1H-Imidazole-1-heptanoic acid, methyl ester
TL;DR: 1H-Imidazole-1-heptanoic acid, methyl ester (CAS 66115-70-6) is a chemical compound with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-imidazol-1-ylheptanoate
Also Known As: Methyl 1H-imidazole-1-heptanoate, methyl 7-imidazol-1-ylheptanoate, N-(6-Methoxycarbonylhexyl)-imidazol, 1H-Imidazole-1-heptanoic acid, methyl ester, N-(6-Methoxycarbonylhexyl)-imidazol [German]
| Molecular Formula | C11H18N2O2 |
|---|---|
| Molecular Weight | 210.14 g/mol |
| LogP | 2.0066 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.13683 |
| Heavy Atoms | 15 |
| Complexity | 270.1251 |
Chemical Identifiers
| CAS Number | 66115-70-6 |
|---|---|
| SMILES | COC(=O)CCCCCCN1C=CN=C1 |
Product Overview
1H-Imidazole-1-heptanoic acid, methyl ester (CAS 66115-70-6), with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol. IUPAC: methyl 7-imidazol-1-ylheptanoate.
Chemical Property Profile of 1H-Imidazole-1-heptanoic acid, methyl ester
Property Insights of 1H-Imidazole-1-heptanoic acid, methyl ester
The XLogP value of 2.0066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-heptanoic acid, methyl ester. With a topological polar surface area (TPSA) of 44.12 Ų, 1H-Imidazole-1-heptanoic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole-1-heptanoic 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-heptanoic acid, methyl ester?
The CAS number of 1H-Imidazole-1-heptanoic acid, methyl ester is 66115-70-6.
What is the molecular formula of 1H-Imidazole-1-heptanoic acid, methyl ester?
The molecular formula of 1H-Imidazole-1-heptanoic acid, methyl ester is C11H18N2O2.
What is the molecular weight of 1H-Imidazole-1-heptanoic acid, methyl ester?
The molecular weight of 1H-Imidazole-1-heptanoic acid, methyl ester is 210.14 g/mol.
Where can I buy 1H-Imidazole-1-heptanoic acid, methyl ester?
You can request a quote for 1H-Imidazole-1-heptanoic 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-heptanoic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-heptanoic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.