RefChem:1053385
TL;DR: RefChem:1053385 (CAS 134186-08-6) is a chemical compound with molecular formula C17H22ClN3O6 and molecular weight 399.11972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,3aR,6S,6aS)-3-(4-benzoylpiperazin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 5-(4-Benzoylpiperazin-1-yl)-5-deoxy-1,4:3,6-dianhydro-L-iditol 2-nitrate hydrochloride, 1,4:3,6-Dianhydro-2-(4-benzoyl-1-piperazinyl)-2-deoxy-L-iditol 5-nitrate hydrochloride, L-Iditol, 1,4:3,6-dianhydro-2-(4-benzoyl-1-piperazinyl)-2-deoxy-, 5-nitrate, hydrochloride, 1,4:3,6-Dianhydro-2-(4-benzoylpiperazin-1-yl)-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1), [(3S,3aR,6S,6aS)-3-(4-benzoylpiperazin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride
Technical Specifications
| Molecular Formula | C17H22ClN3O6 |
| Molecular Weight | 399.11972 g/mol |
| XLogP | 0.6093 |
| Topological Polar Surface Area (TPSA) | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.11972 Da |
| Heavy Atoms | 27 |
| Complexity | 527.0 |
| SMILES | C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C(=O)C4=CC=CC=C4.Cl |
| InChIKey | STOIHGNXMCVKLP-BTXUNPJVSA-N |
Chemical Property Profile of RefChem:1053385
Property Insights of RefChem:1053385
The XLogP value of 0.6093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053385. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1053385. Following Lipinski's Rule of Five, RefChem:1053385 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1053385?
The CAS number of RefChem:1053385 is 134186-08-6.
What is the molecular formula of RefChem:1053385?
The molecular formula of RefChem:1053385 is C17H22ClN3O6.
What is the molecular weight of RefChem:1053385?
The molecular weight of RefChem:1053385 is 399.11972 g/mol.
Where can I buy RefChem:1053385?
You can request a quote for RefChem:1053385 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1053385?
Yes, CoreyChem provides custom synthesis services for RefChem:1053385 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.