4-甲基-1H-咪唑-5-甲酸
TL;DR: 4-甲基-1H-咪唑-5-甲酸 (CAS 1457-59-6) 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.
4-甲基-1H-咪唑-5-甲酸
5-methyl-1H-imidazole-4-carboxylic acid
Also Known As: 4-Methyl-1H-imidazole-5-carboxylic acid, 5-methyl-1H-imidazole-4-carboxylic acid, methiodalsodium, 5-Methyl-4-imidazolecarboxylic Acid, 5-Methyl-1H-4-carboxylic acid
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 1457-59-6 |
|---|---|
| SMILES | CC1=C(N=CN1)C(=O)O |
| InChIKey | ULHLTDXPKWELHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-1H-咪唑-5-甲酸 (CAS 1457-59-6), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: 5-methyl-1H-imidazole-4-carboxylic acid.
Chemical Property Profile of 4-甲基-1H-咪唑-5-甲酸
Property Insights of 4-甲基-1H-咪唑-5-甲酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-1H-咪唑-5-甲酸. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲基-1H-咪唑-5-甲酸. Following Lipinski's Rule of Five, 4-甲基-1H-咪唑-5-甲酸 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 4-甲基-1H-咪唑-5-甲酸?
The CAS number of 4-甲基-1H-咪唑-5-甲酸 is 1457-59-6.
What is the molecular formula of 4-甲基-1H-咪唑-5-甲酸?
The molecular formula of 4-甲基-1H-咪唑-5-甲酸 is C5H6N2O2.
What is the molecular weight of 4-甲基-1H-咪唑-5-甲酸?
The molecular weight of 4-甲基-1H-咪唑-5-甲酸 is 126.04 g/mol.
Where can I buy 4-甲基-1H-咪唑-5-甲酸?
You can request a quote for 4-甲基-1H-咪唑-5-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-1H-咪唑-5-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-1H-咪唑-5-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.