L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
TL;DR: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride (CAS 134186-18-8) is a chemical compound with molecular formula C16H21ClN4O7 and molecular weight 416.10986 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,3aR,6S,6aS)-3-[4-(6-oxo-1H-pyridine-3-carbonyl)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-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride, [(3S,3aR,6S,6aS)-3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, [(3S,3aR,6S,6aS)-3-[4-(6-oxo-1H-pyridine-3-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-2-[4-(6-hydroxypyridine-3-carbonyl)piperazin-1-yl]-5-O-nitro-L-iditol--hydrogen chloride (1/1), 1,4:3,6-Dianhydro-2-deoxy-2-[4-(6-hydroxypyridine-3-carbonyl)piperazin-1-yl]-5-O-nitrohexitol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C16H21ClN4O7 |
| Molecular Weight | 416.10986 g/mol |
| XLogP | -0.7024 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.10986 Da |
| Heavy Atoms | 28 |
| Complexity | 695.0 |
| SMILES | C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C(=O)C4=CNC(=O)C=C4.Cl |
| InChIKey | KJFSVJYHVLCYAA-RTJGITDHSA-N |
Chemical Property Profile of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
Property Insights of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
The XLogP value of -0.7024 indicates that L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride. Following Lipinski's Rule of Five, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 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-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
The CAS number of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride is 134186-18-8.
What is the molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
The molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride is C16H21ClN4O7.
What is the molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
The molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride is 416.10986 g/mol.
Where can I buy L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
You can request a quote for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-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-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
Yes, CoreyChem provides custom synthesis services for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((1,6-dihydro-6-oxo-3-pyridinyl)carbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.