咪唑-4-乙酸
TL;DR: 咪唑-4-乙酸 (CAS 645-65-8) is a chemical compound with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
咪唑-4-乙酸
2-(1H-imidazol-5-yl)acetic acid
Also Known As: imidazoleacetic acid, Imidazole-4-acetic acid, 2-(1H-imidazol-5-yl)acetic acid, 1H-Imidazole-4-acetic acid, IMAC
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 645-65-8 |
|---|---|
| SMILES | C1=C(NC=N1)CC(=O)O |
| InChIKey | PRJKNHOMHKJCEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
咪唑-4-乙酸 (CAS 645-65-8), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: 2-(1H-imidazol-5-yl)acetic acid.
Chemical Property Profile of 咪唑-4-乙酸
Property Insights of 咪唑-4-乙酸
The XLogP value of -0.4 indicates that 咪唑-4-乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 咪唑-4-乙酸. Following Lipinski's Rule of Five, 咪唑-4-乙酸 has 2 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 咪唑-4-乙酸?
The CAS number of 咪唑-4-乙酸 is 645-65-8.
What is the molecular formula of 咪唑-4-乙酸?
The molecular formula of 咪唑-4-乙酸 is C5H6N2O2.
What is the molecular weight of 咪唑-4-乙酸?
The molecular weight of 咪唑-4-乙酸 is 126.04 g/mol.
Where can I buy 咪唑-4-乙酸?
You can request a quote for 咪唑-4-乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 咪唑-4-乙酸?
Yes, KEHONG BIO provides custom synthesis services for 咪唑-4-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.