L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride
TL;DR: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride (CAS 81786-40-5) is a chemical compound with molecular formula C17H25ClN2O5 and molecular weight 372.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-[methyl(4-phenylbutyl)amino]-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-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride, 5-(N-(4-Phenylbutyl)-N-methylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German], 5-(N-(4-Phenylbutyl)-N-methylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl, [(3S,3aR,6S,6aS)-3-[methyl(4-phenylbutyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, 1,4:3,6-Dianhydro-2-deoxy-2-[methyl(4-phenylbutyl)amino]-5-O-nitro-L-iditol--hydrogen chloride (1/1)
| Molecular Formula | C17H25ClN2O5 |
|---|---|
| Molecular Weight | 372.15 g/mol |
| LogP | 2.106 |
| Topological Polar Surface Area | 74.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.1452 |
| Heavy Atoms | 25 |
| Complexity | 547.09955 |
Chemical Identifiers
| CAS Number | 81786-40-5 |
|---|---|
| SMILES | CN(CCCCC1=CC=CC=C1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-].Cl |
Product Overview
L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride (CAS 81786-40-5), with molecular formula C17H25ClN2O5 and molecular weight 372.15 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-[methyl(4-phenylbutyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride
Property Insights of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride
The XLogP value of 2.106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride. The TPSA of 74.07 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride. Following Lipinski's Rule of Five, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride has 0 hydrogen bond donor(s) and 6 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 L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride?
The CAS number of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride is 81786-40-5.
What is the molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride?
The molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride is C17H25ClN2O5.
What is the molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride?
The molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride is 372.15 g/mol.
Where can I buy L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride?
You can request a quote for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 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 L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.