L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride
TL;DR: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride (CAS 134213-44-8) is a chemical compound with molecular formula C17H22ClN7O5 and molecular weight 439.1371 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,3aR,6S,6aS)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride, [(3S,3aR,6S,6aS)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, [(3S,3aR,6S,6aS)-3-[4-(1-phenyltetrazol-5-yl)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-(1-phenyl-1H-tetrazol-5-yl)piperazin-1-yl]-L-iditol--hydrogen chloride (1/1), 1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-[4-(1-phenyl-1H-tetrazol-5-yl)piperazin-1-yl]hexitol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C17H22ClN7O5 |
| Molecular Weight | 439.1371 g/mol |
| XLogP | -0.0508 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.1371 Da |
| Heavy Atoms | 30 |
| Complexity | 581.0 |
| SMILES | C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C4=NN=NN4C5=CC=CC=C5.Cl |
| InChIKey | CDMHMBQHCLQUBV-BTXUNPJVSA-N |
Chemical Property Profile of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride
Property Insights of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride
The XLogP value of -0.0508 indicates that L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride. Following Lipinski's Rule of Five, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
The CAS number of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride is 134213-44-8.
What is the molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
The molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride is C17H22ClN7O5.
What is the molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
The molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride is 439.1371 g/mol.
Where can I buy L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
You can request a quote for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
Yes, CoreyChem provides custom synthesis services for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl)-, 5-nitrate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.