1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine
TL;DR: 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine (CAS 87566-50-5) is a chemical compound with molecular formula C17H17BrN2OS and molecular weight 376.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(5-bromothiophen-2-yl)-9-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
Also Known As: 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine, 4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4,5-tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-, 7-(5-Bromothiophen-2-yl)-9-methyl-1,2,4a,5-tetrahydro-4H-[1,4]oxazino[4,3-a][1,4]benzodiazepine, 7-(5-bromothiophen-2-yl)-9-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine, RefChem:296879
| Molecular Formula | C17H17BrN2OS |
|---|---|
| Molecular Weight | 376.02 g/mol |
| LogP | 3.87522 |
| Topological Polar Surface Area | 24.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.0245 |
| Heavy Atoms | 22 |
| Complexity | 740.0102 |
Chemical Identifiers
| CAS Number | 87566-50-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3CCOCC3CN=C2C4=CC=C(S4)Br |
Product Overview
1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine (CAS 87566-50-5), with molecular formula C17H17BrN2OS and molecular weight 376.02 g/mol. IUPAC: 7-(5-bromothiophen-2-yl)-9-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine.
Chemical Property Profile of 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine
Property Insights of 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine
The XLogP value of 3.87522 indicates that 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.83 Ų, 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine has 0 hydrogen bond donor(s) and 4 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 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine?
The CAS number of 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine is 87566-50-5.
What is the molecular formula of 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine?
The molecular formula of 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine is C17H17BrN2OS.
What is the molecular weight of 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine?
The molecular weight of 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine is 376.02 g/mol.
Where can I buy 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine?
You can request a quote for 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.