Butyl 5-amino-1H-imidazole-4-carboxylate
TL;DR: Butyl 5-amino-1H-imidazole-4-carboxylate (CAS 92062-86-7) is a chemical compound with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-amino-1H-imidazole-5-carboxylate
Also Known As: Butyl 5-amino-1H-imidazole-4-carboxylate, butyl 4-amino-1H-imidazole-5-carboxylate
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 92062-86-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(N=CN1)N |
| InChIKey | KCNRGVNUCVXADE-UHFFFAOYSA-N |
Product Overview
Butyl 5-amino-1H-imidazole-4-carboxylate (CAS 92062-86-7), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: butyl 4-amino-1H-imidazole-5-carboxylate.
Chemical Property Profile of Butyl 5-amino-1H-imidazole-4-carboxylate
Property Insights of Butyl 5-amino-1H-imidazole-4-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 5-amino-1H-imidazole-4-carboxylate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 5-amino-1H-imidazole-4-carboxylate. Following Lipinski's Rule of Five, Butyl 5-amino-1H-imidazole-4-carboxylate 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 Butyl 5-amino-1H-imidazole-4-carboxylate?
The CAS number of Butyl 5-amino-1H-imidazole-4-carboxylate is 92062-86-7.
What is the molecular formula of Butyl 5-amino-1H-imidazole-4-carboxylate?
The molecular formula of Butyl 5-amino-1H-imidazole-4-carboxylate is C8H13N3O2.
What is the molecular weight of Butyl 5-amino-1H-imidazole-4-carboxylate?
The molecular weight of Butyl 5-amino-1H-imidazole-4-carboxylate is 183.10 g/mol.
Where can I buy Butyl 5-amino-1H-imidazole-4-carboxylate?
You can request a quote for Butyl 5-amino-1H-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 Butyl 5-amino-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 5-amino-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.