L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate
TL;DR: L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate (CAS 134185-31-2) is a chemical compound with molecular formula C21H29N3O7S and molecular weight 467.1726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[3-[4-[(3S,3aR,6S,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]piperazin-1-yl]propylsulfanyl]phenyl]acetic acid
Also Known As: L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate, 1,4:3,6-Dianhydro-2-[4-(3-{[4-(carboxymethyl)phenyl]sulfanyl}propyl)piperazin-1-yl]-2-deoxy-5-O-nitro-L-iditol, 1,4:3,6-Dianhydro-2-[4-(3-{[4-(carboxymethyl)phenyl]sulfanyl}propyl)piperazin-1-yl]-2-deoxy-5-O-nitrohexitol, 2-[4-[3-[4-[(3S,3aR,6S,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]piperazin-1-yl]propylsulfanyl]phenyl]acetic acid
Technical Specifications
| Molecular Formula | C21H29N3O7S |
| Molecular Weight | 467.1726 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.1726 Da |
| Heavy Atoms | 32 |
| Complexity | 635.0 |
| SMILES | C1CN(CCN1CCCSC2=CC=C(C=C2)CC(=O)O)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-] |
| InChIKey | WNNJOUMRDKSYOI-FMWKFLBASA-N |
Chemical Property Profile of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate
Property Insights of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate
The XLogP value of -0.4 indicates that L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate?
The CAS number of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate is 134185-31-2.
What is the molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate?
The molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate is C21H29N3O7S.
What is the molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate?
The molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate is 467.1726 g/mol.
Where can I buy L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate?
You can request a quote for L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate?
Yes, CoreyChem provides custom synthesis services for L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.