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 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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
| Molecular Formula | C17H15ClN2O2S |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 2.9118 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.0543 |
| Heavy Atoms | 23 |
| Complexity | 793.4353 |
Chemical Identifiers
| CAS Number | 129303-29-3 |
|---|---|
| SMILES | C1[C@@H]2[C@H](CS1=O)N(C3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)Cl |
Product Overview
cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide (CAS 129303-29-3), with molecular formula C17H15ClN2O2S and molecular weight 346.05 g/mol. IUPAC: [(3aR,9aS)-2-oxo-3,3a,9,9a-tetrahydro-1H-thieno[3,4-b]quinoxalin-4-yl]-(4-chlorophenyl)methanone.
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 2.9118 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. With a topological polar surface area (TPSA) of 49.41 Ų, cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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 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 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 346.05 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-1,3,3a,4,9,9a-Hexahydro-4-(4-chlorobenzoyl)thieno(3,4-b)quinoxaline 2-oxide?
Yes, KEHONG BIO 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.