2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl
TL;DR: 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl (CAS 134308-71-7) is a chemical compound with molecular formula C19H28ClN3O5S and molecular weight 445.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl, D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(phenylthio)propyl)-1-piperazinyl)-, 5-nitrate,dihydrochloride, [3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, [3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride, 1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-{4-[3-(phenylsulfanyl)propyl]piperazin-1-yl}hexitol--hydrogen chloride (1/1)
| Molecular Formula | C19H28ClN3O5S |
|---|---|
| Molecular Weight | 445.14 g/mol |
| LogP | 1.9513 |
| Topological Polar Surface Area | 77.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.14383 |
| Heavy Atoms | 29 |
| Complexity | 649.9916 |
Chemical Identifiers
| CAS Number | 134308-71-7 |
|---|---|
| SMILES | C1CN(CCN1CCCSC2=CC=CC=C2)C3COC4C3OCC4O[N+](=O)[O-].Cl |
Product Overview
2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl (CAS 134308-71-7), with molecular formula C19H28ClN3O5S and molecular weight 445.14 g/mol. IUPAC: [3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl
Property Insights of 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl
The XLogP value of 1.9513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl. The TPSA of 77.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl. Following Lipinski's Rule of Five, 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl has 0 hydrogen bond donor(s) and 8 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 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl?
The CAS number of 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl is 134308-71-7.
What is the molecular formula of 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl?
The molecular formula of 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl is C19H28ClN3O5S.
What is the molecular weight of 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl?
The molecular weight of 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl is 445.14 g/mol.
Where can I buy 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl?
You can request a quote for 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl?
Yes, KEHONG BIO provides custom synthesis services for 2-Deoxy-2-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-D-glucitol 5-nitrate HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.