Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide
TL;DR: Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide (CAS 68771-66-4) is a chemical compound with molecular formula C33H32I2N8O3 and molecular weight 842.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-[4-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;iodide;hydroiodide
Also Known As: Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide, 4-N-[4-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide iodide hydroiodide, RefChem:1097532
| Molecular Formula | C33H32I2N8O3 |
|---|---|
| Molecular Weight | 842.07 g/mol |
| LogP | 1.74652 |
| Topological Polar Surface Area | 147.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 842.06866 |
| Heavy Atoms | 46 |
| Complexity | 1899.2323 |
Chemical Identifiers
| CAS Number | 68771-66-4 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C)N=C(N1C)N.I.[I-] |
Product Overview
Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide (CAS 68771-66-4), with molecular formula C33H32I2N8O3 and molecular weight 842.07 g/mol. IUPAC: 4-N-[4-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;iodide;hydroiodide.
Chemical Property Profile of Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide
Property Insights of Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide
The XLogP value of 1.74652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide. The TPSA of 147.38 Ų indicates high polarity, suggesting Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide?
The CAS number of Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide is 68771-66-4.
What is the molecular formula of Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide?
The molecular formula of Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide is C33H32I2N8O3.
What is the molecular weight of Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide?
The molecular weight of Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide is 842.07 g/mol.
Where can I buy Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide?
You can request a quote for Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.