NK-611 hydrochloride
TL;DR: NK-611 hydrochloride (CAS 116145-91-6) is a chemical compound with molecular formula C31H38ClNO12 and molecular weight 651.20825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[7-(dimethylamino)-8-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride
Also Known As: NK-611 hydrochloride, NK 611, NK611, 5-[[7-(Dimethylamino)-8-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride, 9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 2-deoxy-2-(dimethylamino)-4,6-o-ethylidenehexopyranoside hydrochloride(1:1)
Technical Specifications
| Molecular Formula | C31H38ClNO12 |
| Molecular Weight | 651.20825 g/mol |
| XLogP | 2.3297 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 651.20825 Da |
| Heavy Atoms | 45 |
| Complexity | 1020.0 |
| SMILES | CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)N(C)C)O.Cl |
| InChIKey | PYLTTZZOZBYUEI-UHFFFAOYSA-N |
Chemical Property Profile of NK-611 hydrochloride
Property Insights of NK-611 hydrochloride
The XLogP value of 2.3297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NK-611 hydrochloride. The TPSA of 144.0 Ų indicates high polarity, suggesting NK-611 hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NK-611 hydrochloride has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of NK-611 hydrochloride?
The CAS number of NK-611 hydrochloride is 116145-91-6.
What is the molecular formula of NK-611 hydrochloride?
The molecular formula of NK-611 hydrochloride is C31H38ClNO12.
What is the molecular weight of NK-611 hydrochloride?
The molecular weight of NK-611 hydrochloride is 651.20825 g/mol.
Where can I buy NK-611 hydrochloride?
You can request a quote for NK-611 hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NK-611 hydrochloride?
Yes, CoreyChem provides custom synthesis services for NK-611 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.