L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
TL;DR: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride (CAS 134185-45-8) is a chemical compound with molecular formula C20H28ClN5O5 and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-[4-(3-indazol-2-ylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride, [(3S,3aR,6S,6aS)-3-[4-(3-indazol-2-ylpropyl)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-2-{4-[3-(2H-indazol-2-yl)propyl]piperazin-1-yl}-5-O-nitro-L-iditol--hydrogen chloride (1/1), 1,4:3,6-Dianhydro-2-deoxy-2-{4-[3-(2H-indazol-2-yl)propyl]piperazin-1-yl}-5-O-nitrohexitol--hydrogen chloride (1/1), RefChem:350731
| Molecular Formula | C20H28ClN5O5 |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 1.2089 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.1779 |
| Heavy Atoms | 31 |
| Complexity | 856.72266 |
Chemical Identifiers
| CAS Number | 134185-45-8 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C=C3C=CC=CC3=N2)[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5O[N+](=O)[O-].Cl |
Product Overview
L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride (CAS 134185-45-8), with molecular formula C20H28ClN5O5 and molecular weight 453.18 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-[4-(3-indazol-2-ylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
Property Insights of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
The XLogP value of 1.2089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride. Following Lipinski's Rule of Five, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride 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 L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
The CAS number of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride is 134185-45-8.
What is the molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
The molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride is C20H28ClN5O5.
What is the molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
The molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride is 453.18 g/mol.
Where can I buy L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
You can request a quote for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(2H-indazol-2-yl)propyl)-1-piperazinyl)-, 5-nitrate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.