![5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German] structure](/static/products/817/81786-39-2.png)
5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]
TL;DR: 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German] (CAS 81786-39-2) is a chemical compound with molecular formula C16H23ClN2O5 and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-[methyl(3-phenylpropyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German], L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(3-phenylpropyl)amino)-, 5-nitrate, monohydrochloride, 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl, [-6-(methyl-4,8-dioxabicyclo[3.3.0]oct-2-yl]nitratehydrochloride, [ -6-(methyl- -4,8-dioxabicyclo[3.3.0]oct-2-yl]nitratehydrochloride
| Molecular Formula | C16H23ClN2O5 |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 1.7159 |
| Topological Polar Surface Area | 74.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.12955 |
| Heavy Atoms | 24 |
| Complexity | 532.45886 |
Chemical Identifiers
| CAS Number | 81786-39-2 |
|---|---|
| SMILES | CN(CCCC1=CC=CC=C1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-].Cl |
Product Overview
5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German] (CAS 81786-39-2), with molecular formula C16H23ClN2O5 and molecular weight 358.13 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-[methyl(3-phenylpropyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]
Property Insights of 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]
The XLogP value of 1.7159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]. The TPSA of 74.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]. Following Lipinski's Rule of Five, 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German] 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 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]?
The CAS number of 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German] is 81786-39-2.
What is the molecular formula of 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]?
The molecular formula of 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German] is C16H23ClN2O5.
What is the molecular weight of 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]?
The molecular weight of 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German] is 358.13 g/mol.
Where can I buy 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]?
You can request a quote for 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]?
Yes, KEHONG BIO provides custom synthesis services for 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.