RefChem:350727
TL;DR: RefChem:350727 (CAS 134186-05-3) is a chemical compound with molecular formula C16H21ClN4O6 and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 5-Deoxy-5-(4-(pyridin-2-yl)carbonylpiperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(2-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, hydrochloride, [(3S,3aR,6S,6aS)-3-[4-(pyridine-2-carbonyl)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-(pyridine-2-carbonyl)piperazin-1-yl]-L-iditol--hydrogen chloride (1/1), 1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]hexitol--hydrogen chloride (1/1)
| Molecular Formula | C16H21ClN4O6 |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 0.0043 |
| Topological Polar Surface Area | 107.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.11496 |
| Heavy Atoms | 27 |
| Complexity | 672.13416 |
Chemical Identifiers
| CAS Number | 134186-05-3 |
|---|---|
| SMILES | C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C(=O)C4=CC=CC=N4.Cl |
Product Overview
RefChem:350727 (CAS 134186-05-3), with molecular formula C16H21ClN4O6 and molecular weight 400.11 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of RefChem:350727
Property Insights of RefChem:350727
The XLogP value of 0.0043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:350727. The TPSA of 107.27 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350727. Following Lipinski's Rule of Five, RefChem:350727 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 RefChem:350727?
The CAS number of RefChem:350727 is 134186-05-3.
What is the molecular formula of RefChem:350727?
The molecular formula of RefChem:350727 is C16H21ClN4O6.
What is the molecular weight of RefChem:350727?
The molecular weight of RefChem:350727 is 400.11 g/mol.
Where can I buy RefChem:350727?
You can request a quote for RefChem:350727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350727?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.