cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide
TL;DR: cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide (CAS 129303-29-3) is a chemical compound with molecular formula C17H15ClN2O2S and molecular weight 346.0543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3aR,9aS)-2-oxo-3,3a,9,9a-tetrahydro-1H-thieno[3,4-b]quinoxalin-4-yl]-(4-chlorophenyl)methanone
Also Known As: cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide, cis-4-(4-Chlorobenzoyl)-1,3,3a,4,9,9a-hexahydrothieno(3,4-b)quinoxaline 2-oxide, cis-N-Parachlorobenzoyl-4 hexahydro-1,3,3a,4,9,9a thieno(3,4-b)quinoxaline monoxyde [French], Thieno(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-4-(4-chlorobenzoyl)-, 2-oxide, cis-, [(3aR,9aS)-2-oxo-3,3a,9,9a-tetrahydro-1H-thieno[3,4-b]quinoxalin-4-yl]-(4-chlorophenyl)methanone
Technical Specifications
| Molecular Formula | C17H15ClN2O2S |
| Molecular Weight | 346.0543 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.0543 Da |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
| SMILES | C1[C@@H]2[C@H](CS1=O)N(C3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)Cl |
| InChIKey | BZVUNXFQOZIZMQ-MNJWVGMUSA-N |
Chemical Property Profile of cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide
Property Insights of cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide. Following Lipinski's Rule of Five, cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide has 1 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 cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide?
The CAS number of cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide is 129303-29-3.
What is the molecular formula of cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide?
The molecular formula of cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide is C17H15ClN2O2S.
What is the molecular weight of cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide?
The molecular weight of cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide is 346.0543 g/mol.
Where can I buy cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide?
You can request a quote for cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide?
Yes, CoreyChem provides custom synthesis services for cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.