1H-咪唑-5-丙酸
TL;DR: 1H-咪唑-5-丙酸 (CAS 1074-59-5) is a chemical compound with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-咪唑-5-丙酸
3-(1H-imidazol-5-yl)propanoic acid
Also Known As: 3-(1H-imidazol-4-yl)propanoic acid, Deamino-histidine, dihydrourocanic acid, imidazolepropionic acid, Imidazolylpropionic acid
| Molecular Formula | C6H8N2O2 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.05858 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| Melting Point | 206 - 208 °C |
Chemical Identifiers
| CAS Number | 1074-59-5 |
|---|---|
| SMILES | C1=C(NC=N1)CCC(=O)O |
| InChIKey | ZCKYOWGFRHAZIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-咪唑-5-丙酸 (CAS 1074-59-5), with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol. IUPAC: 3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of 1H-咪唑-5-丙酸
Property Insights of 1H-咪唑-5-丙酸
The XLogP value of -0.3 indicates that 1H-咪唑-5-丙酸 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 1H-咪唑-5-丙酸. Following Lipinski's Rule of Five, 1H-咪唑-5-丙酸 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 1H-咪唑-5-丙酸?
The CAS number of 1H-咪唑-5-丙酸 is 1074-59-5.
What is the molecular formula of 1H-咪唑-5-丙酸?
The molecular formula of 1H-咪唑-5-丙酸 is C6H8N2O2.
What is the molecular weight of 1H-咪唑-5-丙酸?
The molecular weight of 1H-咪唑-5-丙酸 is 140.06 g/mol.
Where can I buy 1H-咪唑-5-丙酸?
You can request a quote for 1H-咪唑-5-丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-咪唑-5-丙酸?
Yes, KEHONG BIO provides custom synthesis services for 1H-咪唑-5-丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.