RefChem:1097534
TL;DR: RefChem:1097534 (CAS 20719-29-3) is a chemical compound with molecular formula C46H48N10O8S2 and molecular weight 932.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis[4-[(2-amino-1-ethylpyrimidin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyrimidinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(2-amino-1-ethyl-, di-p-toluenesulfonate, 4,4'-[benzene-1,4-diylbis(carbonyliminobenzene-4,1-diylimino)]bis(2-amino-1-ethylpyrimidin-1-ium) bis(4-methylbenzenesulfonate), Pyrimidinium, 4,4'-(1,4-phenylenebis(carbonylimino-4,1-phenylene-imino))bis(2-amino-1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:2), 1-N,4-N-bis[4-[(2-amino-1-ethylpyrimidin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, Pyrimidinium, 4,4'-[1,4-phenylenebis(carbonylimino-4,1-phenylene-imino)]bis[2-amino-1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:2)
| Molecular Formula | C46H48N10O8S2 |
|---|---|
| Molecular Weight | 932.31 g/mol |
| LogP | 6.05 |
| Topological Polar Surface Area | 299.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 932.3098 |
| Heavy Atoms | 66 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 20719-29-3 |
|---|---|
| SMILES | CC[N+]1=C(N=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=NC(=[N+](C=C5)CC)N)N.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | COZHASXUPYEQIA-UHFFFAOYSA-N |
Product Overview
RefChem:1097534 (CAS 20719-29-3), with molecular formula C46H48N10O8S2 and molecular weight 932.31 g/mol. IUPAC: 1-N,4-N-bis[4-[(2-amino-1-ethylpyrimidin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:1097534
Property Insights of RefChem:1097534
The XLogP value of 6.05 indicates that RefChem:1097534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 299.0 Ų indicates high polarity, suggesting RefChem:1097534 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097534 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097534?
The CAS number of RefChem:1097534 is 20719-29-3.
What is the molecular formula of RefChem:1097534?
The molecular formula of RefChem:1097534 is C46H48N10O8S2.
What is the molecular weight of RefChem:1097534?
The molecular weight of RefChem:1097534 is 932.31 g/mol.
Where can I buy RefChem:1097534?
You can request a quote for RefChem:1097534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097534?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.