trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide
TL;DR: trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide (CAS 132316-51-9) is a chemical compound with molecular formula C10H18N4O2S and molecular weight 258.11505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,7R)-11λ6-thia-1,8,10,12-tetrazatetracyclo[8.3.1.18,12.02,7]pentadecane 11,11-dioxide
Also Known As: trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide, 2H,6H-1,5:3,7-Dimethano-4,1,3,5,7-benzothiatetrazonine, hexahydro-, 4,4-dioxide, trans-, Hexahydro-2H,4H,6H-1,5:3,7-dimethano-4lambda~6~-4lambda~6~,1,3,5,7-benzothiatetrazonine-4,4-dione, (7aR,11aR)-Hexahydro-2H,4H,6H-1,5:3,7-dimethano-4lambda~6~-4,1,3,5,7-benzothiatetrazonine-4,4-dione
Technical Specifications
| Molecular Formula | C10H18N4O2S |
| Molecular Weight | 258.11505 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.11505 Da |
| Heavy Atoms | 17 |
| Complexity | 388.0 |
| SMILES | C1CC[C@@H]2[C@@H](C1)N3CN4CN2CN(C3)S4(=O)=O |
| InChIKey | DRYFQLDUOJHWBF-NXEZZACHSA-N |
Chemical Property Profile of trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide
Property Insights of trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide. With a topological polar surface area (TPSA) of 55.5 Ų, trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide 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
What is the CAS number of trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide?
The CAS number of trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide is 132316-51-9.
What is the molecular formula of trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide?
The molecular formula of trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide is C10H18N4O2S.
What is the molecular weight of trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide?
The molecular weight of trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide is 258.11505 g/mol.
Where can I buy trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide?
You can request a quote for trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide?
Yes, CoreyChem provides custom synthesis services for trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.