L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
TL;DR: L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride (CAS 134186-00-8) is a chemical compound with molecular formula C17H22ClN5O5 and molecular weight 411.13095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,3aR,6S,6aS)-3-[4-(1H-benzimidazol-2-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-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride, 5-(4-(Benzimidazol-2-yl)piperazin-1-yl)-5-deoxy-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl, [(3S,3aR,6S,6aS)-3-[4-(1H-benzimidazol-2-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-[4-(1H-1,3-benzimidazol-2-yl)piperazin-1-yl]-2-deoxy-5-O-nitro-L-iditol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C17H22ClN5O5 |
| Molecular Weight | 411.13095 g/mol |
| XLogP | 0.8498 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.13095 Da |
| Heavy Atoms | 28 |
| Complexity | 554.0 |
| SMILES | C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C4=NC5=CC=CC=C5N4.Cl |
| InChIKey | REFXIVSWHCHQAY-BTXUNPJVSA-N |
Chemical Property Profile of L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
Property Insights of L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
The XLogP value of 0.8498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride. Following Lipinski's Rule of Five, L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride has 2 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 L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The CAS number of L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is 134186-00-8.
What is the molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is C17H22ClN5O5.
What is the molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is 411.13095 g/mol.
Where can I buy L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
You can request a quote for L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 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-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
Yes, CoreyChem provides custom synthesis services for L-Iditol, 1,4:3,6-dianhydro-2-(4-(1H-benzimidazol-2-yl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.