![Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate structure](/static/products/161/161468-56-0.webp)
Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate
TL;DR: Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate (CAS 161468-56-0) is a chemical compound with molecular formula C12H13BrN2O3 and molecular weight 312.01096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 5-bromo-2-oxo-3H-benzimidazole-1-carboxylate
Also Known As: tert-butyl 5-bromo-2-oxo-2,3-dihydro-1h-benzimidazole-1-carboxylate, TERT-BUTYL 5-BROMO-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE, tert-butyl 5-bromo-2-oxo-3H-benzimidazole-1-carboxylate, tert-butyl5-bromo-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carboxylate, tert-Butyl 5-bromo-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxylate
Technical Specifications
| Molecular Formula | C12H13BrN2O3 |
| Molecular Weight | 312.01096 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.01096 Da |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
| SMILES | CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)NC1=O |
| InChIKey | NFMLPYJNKOCRBD-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate
Property Insights of Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-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 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate?
The CAS number of Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate is 161468-56-0.
What is the molecular formula of Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate?
The molecular formula of Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate is C12H13BrN2O3.
What is the molecular weight of Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate?
The molecular weight of Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate is 312.01096 g/mol.
Where can I buy Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate?
You can request a quote for Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 5-bromo-2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.