5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl
TL;DR: 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl (CAS 81786-62-1) is a chemical compound with molecular formula C16H23ClN2O8 and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((2-hydroxy-3-(4-methoxyphenoxy)propyl)amino)-, 5-nitrate, monohydrochloride, [(3S,3aR,6S,6aS)-3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, 1,4:3,6-Dianhydro-2-deoxy-2-{[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino}-5-O-nitro-L-iditol--hydrogen chloride (1/1), 1,4:3,6-Dianhydro-2-deoxy-2-{[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino}-5-O-nitrohexitol--hydrogen chloride (1/1)
| Molecular Formula | C16H23ClN2O8 |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 0.1894 |
| Topological Polar Surface Area | 121.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.1143 |
| Heavy Atoms | 27 |
| Complexity | 604.588 |
Chemical Identifiers
| CAS Number | 81786-62-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC(CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])O.Cl |
Product Overview
5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl (CAS 81786-62-1), with molecular formula C16H23ClN2O8 and molecular weight 406.11 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl
Property Insights of 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl
The XLogP value of 0.1894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl. The TPSA of 121.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl. Following Lipinski's Rule of Five, 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl has 2 hydrogen bond donor(s) and 9 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-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl?
The CAS number of 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl is 81786-62-1.
What is the molecular formula of 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl?
The molecular formula of 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl is C16H23ClN2O8.
What is the molecular weight of 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl?
The molecular weight of 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl is 406.11 g/mol.
Where can I buy 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl?
You can request a quote for 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.