tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate
TL;DR: tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate (CAS 161468-50-4) is a chemical compound with molecular formula C12H12Cl2N2O3 and molecular weight 302.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4,6-dichloro-2-oxo-3H-benzimidazole-1-carboxylate
Also Known As: tert-butyl 4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate, tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate, Tert-butyl 4,6-dichloro-2-oxo-3H-benzoimidazole-1-carboxylate, tert-Butyl 4,6-dichloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carboxylate
| Molecular Formula | C12H12Cl2N2O3 |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 3.4196 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.0225 |
| Heavy Atoms | 19 |
| Complexity | 710.0584 |
Chemical Identifiers
| CAS Number | 161468-50-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C2=C(C(=CC(=C2)Cl)Cl)NC1=O |
Product Overview
tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate (CAS 161468-50-4), with molecular formula C12H12Cl2N2O3 and molecular weight 302.02 g/mol. IUPAC: tert-butyl 4,6-dichloro-2-oxo-3H-benzimidazole-1-carboxylate.
Chemical Property Profile of tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate
Property Insights of tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate
The XLogP value of 3.4196 indicates that tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-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
Frequently Asked Questions
What is the CAS number of tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate?
The CAS number of tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate is 161468-50-4.
What is the molecular formula of tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate?
The molecular formula of tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate is C12H12Cl2N2O3.
What is the molecular weight of tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate?
The molecular weight of tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate is 302.02 g/mol.
Where can I buy tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate?
You can request a quote for tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl4,6-dichloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.