![3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione structure](/static/products/1415/141581-83-1.webp)
3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione
TL;DR: 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione (CAS 141581-83-1) is a chemical compound with molecular formula C15H15BrN2O2S and molecular weight 366.00375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
15-bromo-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione
Also Known As: 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione, BAS 00024479, AF-966/00547015, 15-bromo-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione, 2-Bromo-3,4,7,8,9,10-hexahydro-2H,6H-12-thia-5a,11-diaza-cyclohepta[b]fluorene-1,5-dione
Technical Specifications
| Molecular Formula | C15H15BrN2O2S |
| Molecular Weight | 366.00375 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 366.00375 Da |
| Heavy Atoms | 21 |
| Complexity | 524.0 |
| SMILES | C1CCC2=NC3=C(C4=C(S3)C(=O)C(CC4)Br)C(=O)N2CC1 |
| InChIKey | IVCYKDGSQAGJHW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione
Property Insights of 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione
The XLogP value of 3.0 indicates that 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione. Following Lipinski's Rule of Five, 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione 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
What is the CAS number of 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione?
The CAS number of 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione is 141581-83-1.
What is the molecular formula of 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione?
The molecular formula of 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione is C15H15BrN2O2S.
What is the molecular weight of 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione?
The molecular weight of 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione is 366.00375 g/mol.
Where can I buy 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione?
You can request a quote for 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.