NIR-664-iodoacetamide
TL;DR: NIR-664-iodoacetamide (CAS 149021-66-9) is a chemical compound with molecular formula C37H42IN3O4S and molecular weight 751.1941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[5-[5-[[(2-iodoacetyl)amino]methyl]-1,3,3-trimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
Also Known As: NIR-664-iodoacetamide, 4-[2-[5-[5-[[(2-iodoacetyl)amino]methyl]-1,3,3-trimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate, 4,5-Benzo-5'-(iodoacetaminomethyl)-1',3,3,3',3'-pentamethyl-1-(4-sulfobutyl)indodica, 1H-Benz[e]indolium, 2-[5-[1,3-dihydro-5-[[(2-iodoacetyl)amino]methyl]-1,3,3-trimethyl-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt, 2-[5-[1,3-Dihydro-5-[[(2-iodoacetyl)amino]methyl]-1,3,3-trimethyl-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1,1-dimethyl-3-(4-sulfobut yl)-1H-benz[e]indolium inner salt
Technical Specifications
| Molecular Formula | C37H42IN3O4S |
| Molecular Weight | 751.1941 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 751.1941 Da |
| Heavy Atoms | 46 |
| Complexity | 1330.0 |
| SMILES | CC1(C2=C(C=CC(=C2)CNC(=O)CI)[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCS(=O)(=O)[O-])C=CC5=CC=CC=C54)(C)C)C)C |
| InChIKey | DSOHJESYBPIQMM-UHFFFAOYSA-N |
Chemical Property Profile of NIR-664-iodoacetamide
Property Insights of NIR-664-iodoacetamide
The XLogP value of 6.8 indicates that NIR-664-iodoacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NIR-664-iodoacetamide. Following Lipinski's Rule of Five, NIR-664-iodoacetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of NIR-664-iodoacetamide?
The CAS number of NIR-664-iodoacetamide is 149021-66-9.
What is the molecular formula of NIR-664-iodoacetamide?
The molecular formula of NIR-664-iodoacetamide is C37H42IN3O4S.
What is the molecular weight of NIR-664-iodoacetamide?
The molecular weight of NIR-664-iodoacetamide is 751.1941 g/mol.
Where can I buy NIR-664-iodoacetamide?
You can request a quote for NIR-664-iodoacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NIR-664-iodoacetamide?
Yes, CoreyChem provides custom synthesis services for NIR-664-iodoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.