Octyl 5-amino-3H-imidazole-4-carboxylate
TL;DR: Octyl 5-amino-3H-imidazole-4-carboxylate (CAS 36137-90-3) is a chemical compound with molecular formula C12H21N3O2 and molecular weight 239.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 4-amino-1H-imidazole-5-carboxylate
Also Known As: octyl 4-amino-1H-imidazole-5-carboxylate, OCTYL 5-AMINO-3H-IMIDAZOLE-4-CARBOXYLATE
| Molecular Formula | C12H21N3O2 |
|---|---|
| Molecular Weight | 239.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 239.16338 |
| Heavy Atoms | 17 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 36137-90-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=C(N=CN1)N |
| InChIKey | OLXKKJGOUXZRIA-UHFFFAOYSA-N |
Product Overview
Octyl 5-amino-3H-imidazole-4-carboxylate (CAS 36137-90-3), with molecular formula C12H21N3O2 and molecular weight 239.16 g/mol. IUPAC: octyl 4-amino-1H-imidazole-5-carboxylate.
Chemical Property Profile of Octyl 5-amino-3H-imidazole-4-carboxylate
Property Insights of Octyl 5-amino-3H-imidazole-4-carboxylate
The XLogP value of 3.9 indicates that Octyl 5-amino-3H-imidazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Octyl 5-amino-3H-imidazole-4-carboxylate. Following Lipinski's Rule of Five, Octyl 5-amino-3H-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 Octyl 5-amino-3H-imidazole-4-carboxylate?
The CAS number of Octyl 5-amino-3H-imidazole-4-carboxylate is 36137-90-3.
What is the molecular formula of Octyl 5-amino-3H-imidazole-4-carboxylate?
The molecular formula of Octyl 5-amino-3H-imidazole-4-carboxylate is C12H21N3O2.
What is the molecular weight of Octyl 5-amino-3H-imidazole-4-carboxylate?
The molecular weight of Octyl 5-amino-3H-imidazole-4-carboxylate is 239.16 g/mol.
Where can I buy Octyl 5-amino-3H-imidazole-4-carboxylate?
You can request a quote for Octyl 5-amino-3H-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 Octyl 5-amino-3H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 5-amino-3H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.