5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl
TL;DR: 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl (CAS 134186-16-6) is a chemical compound with molecular formula C15H20ClN3O6S and molecular weight 405.07614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,3aR,6S,6aS)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(2-thienylcarbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride, [(3S,3aR,6S,6aS)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, 1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]-L-iditol--hydrogen chloride (1/1), 1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]hexitol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C15H20ClN3O6S |
| Molecular Weight | 405.07614 g/mol |
| XLogP | 0.6708 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.07614 Da |
| Heavy Atoms | 26 |
| Complexity | 524.0 |
| SMILES | C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C(=O)C4=CC=CS4.Cl |
| InChIKey | MTJBHMOISQESQR-FBNCXKDQSA-N |
Chemical Property Profile of 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl
Property Insights of 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl
The XLogP value of 0.6708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl. Following Lipinski's Rule of Five, 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl?
The CAS number of 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl is 134186-16-6.
What is the molecular formula of 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl?
The molecular formula of 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl is C15H20ClN3O6S.
What is the molecular weight of 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl?
The molecular weight of 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl is 405.07614 g/mol.
Where can I buy 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl?
You can request a quote for 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl?
Yes, CoreyChem provides custom synthesis services for 5-Deoxy-5-(4-(thiophen-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.