4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole
TL;DR: 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole (CAS 76098-99-2) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
Also Known As: 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(1,1-dimethylethyl)-, 1-tert-Butyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a][1,3]benzimidazole, 1-tert-Butyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]benzimidazole, 1,4-EPOXY-1H,3H-(1,4)OXAZEPINO[4,3-A]BENZO[D]IMIDAZOLE,4,5-DIHYDRO-1-(TERT-BUTYL)-
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.6642 |
| Topological Polar Surface Area | 36.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 655.6996 |
Chemical Identifiers
| CAS Number | 76098-99-2 |
|---|---|
| SMILES | CC(C)(C)C12C3=NC4=CC=CC=C4N3CC(O1)CO2 |
Product Overview
4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole (CAS 76098-99-2), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: 1-tert-butyl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene.
Chemical Property Profile of 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole
Property Insights of 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole
The XLogP value of 2.6642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole. With a topological polar surface area (TPSA) of 36.28 Ų, 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole 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 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole?
The CAS number of 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole is 76098-99-2.
What is the molecular formula of 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole?
The molecular formula of 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole is C15H18N2O2.
What is the molecular weight of 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole?
The molecular weight of 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole is 258.14 g/mol.
Where can I buy 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole?
You can request a quote for 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-1-(1,1-dimethylethyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.