7-(1-Imidazolyl)heptanoic acid
TL;DR: 7-(1-Imidazolyl)heptanoic acid (CAS 68887-67-2) is a chemical compound with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-imidazol-1-ylheptanoic acid
Also Known As: 7-(1-Imidazolyl)heptanoic acid, 1-Carboxyhexylimidazole, 7-imidazol-1-ylheptanoic acid, 1H-Imidazole-1-heptanoic acid, N-(7-Carboxyhexyl)imidazole
| Molecular Formula | C10H16N2O2 |
|---|---|
| Molecular Weight | 196.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.12119 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 68887-67-2 |
|---|---|
| SMILES | C1=CN(C=N1)CCCCCCC(=O)O |
| InChIKey | KZUXSHYAXPMDNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(1-Imidazolyl)heptanoic acid (CAS 68887-67-2), with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol. IUPAC: 7-imidazol-1-ylheptanoic acid.
Chemical Property Profile of 7-(1-Imidazolyl)heptanoic acid
Property Insights of 7-(1-Imidazolyl)heptanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(1-Imidazolyl)heptanoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 7-(1-Imidazolyl)heptanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(1-Imidazolyl)heptanoic acid has 1 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 7-(1-Imidazolyl)heptanoic acid?
The CAS number of 7-(1-Imidazolyl)heptanoic acid is 68887-67-2.
What is the molecular formula of 7-(1-Imidazolyl)heptanoic acid?
The molecular formula of 7-(1-Imidazolyl)heptanoic acid is C10H16N2O2.
What is the molecular weight of 7-(1-Imidazolyl)heptanoic acid?
The molecular weight of 7-(1-Imidazolyl)heptanoic acid is 196.12 g/mol.
Where can I buy 7-(1-Imidazolyl)heptanoic acid?
You can request a quote for 7-(1-Imidazolyl)heptanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(1-Imidazolyl)heptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-(1-Imidazolyl)heptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.