tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate
TL;DR: tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate (CAS 161468-45-7) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-oxo-3H-benzimidazole-1-carboxylate
Also Known As: N-Boc-2-hydroxybenzimidazole, tert-butyl 2-oxo-3H-benzimidazole-1-carboxylate, BEN319, 2-Bromo-4-fluorobenzoic acid, 2-Hydroxy-benzoimidazole-1-carboxylic acid tert-butyl ester
Technical Specifications
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.10045 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.10045 Da |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
| SMILES | CC(C)(C)OC(=O)N1C2=CC=CC=C2NC1=O |
| InChIKey | GMUWCTKADZFKLT-UHFFFAOYSA-N |
Chemical Property Profile of tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate
Property Insights of tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate?
The CAS number of tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate is 161468-45-7.
What is the molecular formula of tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate?
The molecular formula of tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate is C12H14N2O3.
What is the molecular weight of tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate?
The molecular weight of tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate is 234.10045 g/mol.
Where can I buy tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate?
You can request a quote for tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.