4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole
TL;DR: 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole (CAS 76099-18-8) is a chemical compound with molecular formula C19H17N3O5 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethoxyphenyl)-6-nitro-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4(9),5,7-tetraene
Also Known As: 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-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-(4-ethoxyphenyl)-9-nitro-, 1,4-EPOXY-1H,3H-(1,4)OXAZEPINO[4,3-A]BENZO[D]IMIDAZOLE,4,5-DIHYDRO-1-(4-ETHOXYPHENYL)-9-NITRO-, 1-(4-Ethoxyphenyl)-9-nitro-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a][1,3]benzimidazole, 1-(4-Ethoxyphenyl)-9-nitro-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]benzimidazole
| Molecular Formula | C19H17N3O5 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 2.9733 |
| Topological Polar Surface Area | 88.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.11682 |
| Heavy Atoms | 27 |
| Complexity | 1045.4298 |
Chemical Identifiers
| CAS Number | 76099-18-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C23C4=NC5=C(N4CC(O2)CO3)C=CC(=C5)[N+](=O)[O-] |
Product Overview
4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole (CAS 76099-18-8), with molecular formula C19H17N3O5 and molecular weight 367.12 g/mol. IUPAC: 1-(4-ethoxyphenyl)-6-nitro-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4(9),5,7-tetraene.
Chemical Property Profile of 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole
Property Insights of 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole
The XLogP value of 2.9733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole. The TPSA of 88.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole. Following Lipinski's Rule of Five, 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole has 0 hydrogen bond donor(s) and 6 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-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole?
The CAS number of 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole is 76099-18-8.
What is the molecular formula of 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole?
The molecular formula of 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole is C19H17N3O5.
What is the molecular weight of 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole?
The molecular weight of 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole is 367.12 g/mol.
Where can I buy 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole?
You can request a quote for 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-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-(4-ethoxyphenyl)-9-nitro-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-1-(4-ethoxyphenyl)-9-nitro-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.