1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride
TL;DR: 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride (CAS 81786-57-4) is a chemical compound with molecular formula C16H23ClN2O6 and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-(4-phenoxybutylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride, 5-(4-Phenoxybutylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German], L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-, 5-nitrate, monohydrochloride, 5-(4-Phenoxybutylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid, [(3S,3aR,6S,6aS)-3-(4-phenoxybutylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride
| Molecular Formula | C16H23ClN2O6 |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 1.6001 |
| Topological Polar Surface Area | 92.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.12445 |
| Heavy Atoms | 25 |
| Complexity | 534.616 |
Chemical Identifiers
| CAS Number | 81786-57-4 |
|---|---|
| SMILES | C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])NCCCCOC3=CC=CC=C3.Cl |
Product Overview
1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride (CAS 81786-57-4), with molecular formula C16H23ClN2O6 and molecular weight 374.12 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-(4-phenoxybutylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride
Property Insights of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride
The XLogP value of 1.6001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride. The TPSA of 92.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride. Following Lipinski's Rule of Five, 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride?
The CAS number of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride is 81786-57-4.
What is the molecular formula of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride?
The molecular formula of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride is C16H23ClN2O6.
What is the molecular weight of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride?
The molecular weight of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride is 374.12 g/mol.
Where can I buy 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride?
You can request a quote for 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.