5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride
TL;DR: 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride (CAS 134185-89-0) is a chemical compound with molecular formula C19H30Cl2N2O4 and molecular weight 420.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aR,6S,6aR)-3-[4-(3-phenoxypropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride
Also Known As: 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride, 1,4:3,6-Dianhydro-2-deoxy-2-(4-(3-phenoxypropyl)-1-piperazinyl)-L-iditol dihydrochloride, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-phenoxypropyl)-1-piperazinyl)-, dihydrochloride, (3S,3aR,6S,6aR)-3-[4-(3-phenoxypropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol dihydrochloride, 1,4:3,6-Dianhydro-2-deoxy-2-[4-(3-phenoxypropyl)piperazin-1-yl]-L-iditol--hydrogen chloride (1/2)
| Molecular Formula | C19H30Cl2N2O4 |
|---|---|
| Molecular Weight | 420.16 g/mol |
| LogP | 1.4438 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.15826 |
| Heavy Atoms | 27 |
| Complexity | 545.771 |
Chemical Identifiers
| CAS Number | 134185-89-0 |
|---|---|
| SMILES | C1CN(CCN1CCCOC2=CC=CC=C2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O.Cl.Cl |
Product Overview
5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride (CAS 134185-89-0), with molecular formula C19H30Cl2N2O4 and molecular weight 420.16 g/mol. IUPAC: (3S,3aR,6S,6aR)-3-[4-(3-phenoxypropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride.
Chemical Property Profile of 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride
Property Insights of 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride
The XLogP value of 1.4438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride. With a topological polar surface area (TPSA) of 54.4 Ų, 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride 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 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride?
The CAS number of 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride is 134185-89-0.
What is the molecular formula of 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride?
The molecular formula of 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride is C19H30Cl2N2O4.
What is the molecular weight of 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride?
The molecular weight of 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride is 420.16 g/mol.
Where can I buy 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride?
You can request a quote for 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Deoxy-5-(4-(3-phenoxypropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.