L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
TL;DR: L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride (CAS 134186-02-0) is a chemical compound with molecular formula C20H27ClN6O7 and molecular weight 498.16296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,3aR,6S,6aS)-3-[4-(4-amino-6,7-dimethoxyquinazolin-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-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride, [(3S,3aR,6S,6aS)-3-[4-(4-amino-6,7-dimethoxyquinazolin-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-deoxy-2-[4-(4-imino-6,7-dimethoxy-3,4-dihydroquinazolin-2-yl)piperazin-1-yl]-5-O-nitro-L-iditol--hydrogen chloride (1/1), 1,4:3,6-Dianhydro-2-deoxy-2-[4-(4-imino-6,7-dimethoxy-3,4-dihydroquinazolin-2-yl)piperazin-1-yl]-5-O-nitrohexitol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C20H27ClN6O7 |
| Molecular Weight | 498.16296 g/mol |
| XLogP | 0.5161 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.16296 Da |
| Heavy Atoms | 34 |
| Complexity | 692.0 |
| SMILES | COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O[N+](=O)[O-])N)OC.Cl |
| InChIKey | IVVBCVJUEBOGSJ-XSOQOKRBSA-N |
Chemical Property Profile of L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
Property Insights of L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride
The XLogP value of 0.5161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride. The TPSA of 150.0 Ų indicates high polarity, suggesting L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The CAS number of L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is 134186-02-0.
What is the molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is C20H27ClN6O7.
What is the molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
The molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride is 498.16296 g/mol.
Where can I buy L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
You can request a quote for L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-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-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride?
Yes, CoreyChem provides custom synthesis services for L-Iditol, 1,4:3,6-dianhydro-2-(4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.