Isopropyl 1H-imidazole-1-carboxylate
TL;DR: Isopropyl 1H-imidazole-1-carboxylate (CAS 82998-18-3) is a chemical compound with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl imidazole-1-carboxylate
Also Known As: Isopropyl 1H-imidazole-1-carboxylate, propan-2-yl imidazole-1-carboxylate, ISOPROPYL IMIDAZOLE-1-CARBOXYLATE, Isopropyl 1H-imidazole-1-carboxylate #, Imidazole-1-carboxylic acid isopropyl ester
| Molecular Formula | C7H10N2O2 |
|---|---|
| Molecular Weight | 154.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.07423 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 82998-18-3 |
|---|---|
| SMILES | CC(C)OC(=O)N1C=CN=C1 |
| InChIKey | UAILNBAKJABHNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 1H-imidazole-1-carboxylate (CAS 82998-18-3), with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol. IUPAC: propan-2-yl imidazole-1-carboxylate.
Chemical Property Profile of Isopropyl 1H-imidazole-1-carboxylate
Property Insights of Isopropyl 1H-imidazole-1-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 1H-imidazole-1-carboxylate. With a topological polar surface area (TPSA) of 44.1 Ų, Isopropyl 1H-imidazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 1H-imidazole-1-carboxylate has 0 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 Isopropyl 1H-imidazole-1-carboxylate?
The CAS number of Isopropyl 1H-imidazole-1-carboxylate is 82998-18-3.
What is the molecular formula of Isopropyl 1H-imidazole-1-carboxylate?
The molecular formula of Isopropyl 1H-imidazole-1-carboxylate is C7H10N2O2.
What is the molecular weight of Isopropyl 1H-imidazole-1-carboxylate?
The molecular weight of Isopropyl 1H-imidazole-1-carboxylate is 154.07 g/mol.
Where can I buy Isopropyl 1H-imidazole-1-carboxylate?
You can request a quote for Isopropyl 1H-imidazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 1H-imidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 1H-imidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.