Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate
TL;DR: Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate (CAS 5401-12-7) is a chemical compound with molecular formula C48H52N10O8S2 and molecular weight 960.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis[4-(4-amino-2-imino-1-propylpyrimidin-5-yl)phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonic acid)
Also Known As: Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate, n,n'-bis{4-[(2z)-4-amino-2-imino-1-propyl-1,2-dihydropyrimidin-5-yl]phenyl}benzene-1,4-dicarboxamide 4-methylbenzenesulfonate(1:2), 1-N,4-N-bis[4-(4-amino-2-imino-1-propylpyrimidin-5-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid, RefChem:1097539
| Molecular Formula | C48H52N10O8S2 |
|---|---|
| Molecular Weight | 960.34 g/mol |
| LogP | 7.34498 |
| Topological Polar Surface Area | 315.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 960.3411 |
| Heavy Atoms | 68 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 5401-12-7 |
|---|---|
| SMILES | CCCN1C=C(C(=NC1=N)N)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CN(C(=N)N=C5N)CCC.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | VRCJZKINDNUZSY-UHFFFAOYSA-N |
Product Overview
Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate (CAS 5401-12-7), with molecular formula C48H52N10O8S2 and molecular weight 960.34 g/mol. IUPAC: 1-N,4-N-bis[4-(4-amino-2-imino-1-propylpyrimidin-5-yl)phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonic acid).
Chemical Property Profile of Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate
Property Insights of Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate
The XLogP value of 7.34498 indicates that Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 315.0 Ų indicates high polarity, suggesting Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate?
The CAS number of Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate is 5401-12-7.
What is the molecular formula of Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate?
The molecular formula of Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate is C48H52N10O8S2.
What is the molecular weight of Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate?
The molecular weight of Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate is 960.34 g/mol.
Where can I buy Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate?
You can request a quote for Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-propyl-, di-p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.