1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride
TL;DR: 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride (CAS 81801-87-8) 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.
[3-(4-phenylbutylamino)-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-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride, 2-(4-Phenylbutylamino)-2-desoxy-1,4:3,6-dianhydro-D-glucit-5-nitrat-hydrochlorid [German], D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride, 2-(4-Phenylbutylamino)-2-desoxy-1,4:3,6-dianhydro-D-glucit-5-nitrat-hydrochlorid, [3-(4-phenylbutylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride
| Molecular Formula | C16H23ClN2O5 |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 1.7638 |
| Topological Polar Surface Area | 82.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.12955 |
| Heavy Atoms | 24 |
| Complexity | 518.44904 |
Chemical Identifiers
| CAS Number | 81801-87-8 |
|---|---|
| SMILES | C1C(C2C(O1)C(CO2)O[N+](=O)[O-])NCCCCC3=CC=CC=C3.Cl |
Product Overview
1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride (CAS 81801-87-8), with molecular formula C16H23ClN2O5 and molecular weight 358.13 g/mol. IUPAC: [3-(4-phenylbutylamino)-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-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride
Property Insights of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride
The XLogP value of 1.7638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride. The TPSA of 82.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride. Following Lipinski's Rule of Five, 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride has 1 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 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride?
The CAS number of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride is 81801-87-8.
What is the molecular formula of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride?
The molecular formula of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride is C16H23ClN2O5.
What is the molecular weight of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride?
The molecular weight of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride is 358.13 g/mol.
Where can I buy 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride?
You can request a quote for 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 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-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.