Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride
TL;DR: Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride (CAS 90585-87-8) is a chemical compound with molecular formula C5H8ClN3O2 and molecular weight 177.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-1H-imidazole-5-carboxylate;hydrochloride
Also Known As: Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride, methyl 4-amino-1H-imidazole-5-carboxylate;hydrochloride, Methyl 5-amino-1H-imidazole-4-carboxylate xhydrochloride, METHYL 5-AMINO-1H-IMIDAZOLE-4-CARBOXYLATE HCL, Methyl5-amino-1H-imidazole-4-carboxylatehydrochloride
| Molecular Formula | C5H8ClN3O2 |
|---|---|
| Molecular Weight | 177.03 g/mol |
| LogP | 0.2003 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.0305 |
| Heavy Atoms | 11 |
| Complexity | 247.6305 |
Chemical Identifiers
| CAS Number | 90585-87-8 |
|---|---|
| SMILES | COC(=O)C1=C(N=CN1)N.Cl |
Product Overview
Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride (CAS 90585-87-8), with molecular formula C5H8ClN3O2 and molecular weight 177.03 g/mol. IUPAC: methyl 4-amino-1H-imidazole-5-carboxylate;hydrochloride.
Chemical Property Profile of Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride
Property Insights of Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride
The XLogP value of 0.2003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride. Following Lipinski's Rule of Five, Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride has 2 hydrogen bond donor(s) and 4 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 Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride?
The CAS number of Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride is 90585-87-8.
What is the molecular formula of Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride?
The molecular formula of Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride is C5H8ClN3O2.
What is the molecular weight of Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride?
The molecular weight of Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride is 177.03 g/mol.
Where can I buy Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride?
You can request a quote for Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-amino-1H-imidazole-4-carboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.