5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl
TL;DR: 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl (CAS 81785-43-5) is a chemical compound with molecular formula C17H25ClN2O8 and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-[3-(2,3-dimethoxyphenoxy)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((3-(2,3-dimethoxyphenoxy)propyl)amino)-, 5-nitrate, monohydrochloride, [(3S,3aR,6S,6aS)-3-[3-(2,3-dimethoxyphenoxy)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, 1,4:3,6-Dianhydro-2-deoxy-2-{[3-(2,3-dimethoxyphenoxy)propyl]amino}-5-O-nitro-L-iditol--hydrogen chloride (1/1), 1,4:3,6-Dianhydro-2-deoxy-2-{[3-(2,3-dimethoxyphenoxy)propyl]amino}-5-O-nitrohexitol--hydrogen chloride (1/1)
| Molecular Formula | C17H25ClN2O8 |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 1.2272 |
| Topological Polar Surface Area | 110.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 420.12994 |
| Heavy Atoms | 28 |
| Complexity | 649.58344 |
Chemical Identifiers
| CAS Number | 81785-43-5 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OCCCN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])OC.Cl |
Product Overview
5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl (CAS 81785-43-5), with molecular formula C17H25ClN2O8 and molecular weight 420.13 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-[3-(2,3-dimethoxyphenoxy)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl
Property Insights of 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl
The XLogP value of 1.2272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl. The TPSA of 110.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl. Following Lipinski's Rule of Five, 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl has 1 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-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl?
The CAS number of 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl is 81785-43-5.
What is the molecular formula of 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl?
The molecular formula of 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl is C17H25ClN2O8.
What is the molecular weight of 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl?
The molecular weight of 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl is 420.13 g/mol.
Where can I buy 5-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl?
You can request a quote for 5-(3-(2,3-Dimethoxyphenoxy)-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-(3-(2,3-Dimethoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(2,3-Dimethoxyphenoxy)-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.