methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate
TL;DR: methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate (CAS 36137-94-7) is a chemical compound with molecular formula C6H9N5O2 and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-methyliminohydrazinyl)-1H-imidazole-5-carboxylate
Also Known As: methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate, methyl 5-(methylaminohydrazinylidene)imidazole-4-carboxylate, 5-nitro-1(3)H-imidazole-4-carboxylic acid octyl ester, methyl (5E)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate, Methyl 4-(3-methyltriazan-1-ylidene)-4H-imidazole-5-carboxylate
| Molecular Formula | C6H9N5O2 |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.07562 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 36137-94-7 |
|---|---|
| SMILES | CN=NNC1=C(NC=N1)C(=O)OC |
| InChIKey | DENXXPHCWBFNER-UHFFFAOYSA-N |
Product Overview
methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate (CAS 36137-94-7), with molecular formula C6H9N5O2 and molecular weight 183.08 g/mol. IUPAC: methyl 4-(2-methyliminohydrazinyl)-1H-imidazole-5-carboxylate.
Chemical Property Profile of methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate
Property Insights of methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate. Following Lipinski's Rule of Five, methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate has 2 hydrogen bond donor(s) and 6 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 (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate?
The CAS number of methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate is 36137-94-7.
What is the molecular formula of methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate?
The molecular formula of methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate is C6H9N5O2.
What is the molecular weight of methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate?
The molecular weight of methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate is 183.08 g/mol.
Where can I buy methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate?
You can request a quote for methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (5Z)-5-(methylaminohydrazinylidene)imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.