L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
TL;DR: L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride (CAS 134185-37-8) is a chemical compound with molecular formula C20H28ClN5O5 and molecular weight 453.1779 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,3aR,6S,6aS)-3-[4-[3-(benzimidazol-1-yl)propyl]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-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride, [(3S,3aR,6S,6aS)-3-[4-[3-(benzimidazol-1-yl)propyl]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-[3-(1H-1,3-benzimidazol-1-yl)propyl]piperazin-1-yl}-2-deoxy-5-O-nitro-L-iditol--hydrogen chloride (1/1), 1,4:3,6-Dianhydro-2-{4-[3-(1H-benzimidazol-1-yl)propyl]piperazin-1-yl}-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C20H28ClN5O5 |
| Molecular Weight | 453.1779 g/mol |
| XLogP | 1.2089 |
| Topological Polar Surface Area (TPSA) | 97.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.1779 Da |
| Heavy Atoms | 31 |
| Complexity | 599.0 |
| SMILES | C1CN(CCN1CCCN2C=NC3=CC=CC=C32)[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O[N+](=O)[O-].Cl |
| InChIKey | FQOIRESWJCDFLQ-GSWLFNFOSA-N |
Chemical Property Profile of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
Property Insights of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
The XLogP value of 1.2089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride. Following Lipinski's Rule of Five, L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride 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 L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The CAS number of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is 134185-37-8.
What is the molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is C20H28ClN5O5.
What is the molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is 453.1779 g/mol.
Where can I buy L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
You can request a quote for L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-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-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
Yes, CoreyChem provides custom synthesis services for L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-(1H-benzimidazol-1-yl)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.