RefChem:377131
TL;DR: RefChem:377131 (CAS 16760-14-8) is a chemical compound with molecular formula C50H49N7O10S2 and molecular weight 971.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate, 2-amino-1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 3,3'-[(2-Amino-1,4-phenylene)bis(carbonylazanediyl-4,1-phenylenecarbonylazanediyl)]bis(1-ethylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate), RefChem:377131
| Molecular Formula | C50H49N7O10S2 |
|---|---|
| Molecular Weight | 971.30 g/mol |
| LogP | 6.69104 |
| Topological Polar Surface Area | 281.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 971.2982 |
| Heavy Atoms | 69 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 16760-14-8 |
|---|---|
| SMILES | CC[N+]1=CC=CC(=C1)NC(=O)C2=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)CC)N.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | UKZHSTIPAOLEKX-UHFFFAOYSA-N |
Product Overview
RefChem:377131 (CAS 16760-14-8), with molecular formula C50H49N7O10S2 and molecular weight 971.30 g/mol. IUPAC: 2-amino-1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:377131
Property Insights of RefChem:377131
The XLogP value of 6.69104 indicates that RefChem:377131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 281.0 Ų indicates high polarity, suggesting RefChem:377131 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:377131 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:377131?
The CAS number of RefChem:377131 is 16760-14-8.
What is the molecular formula of RefChem:377131?
The molecular formula of RefChem:377131 is C50H49N7O10S2.
What is the molecular weight of RefChem:377131?
The molecular weight of RefChem:377131 is 971.30 g/mol.
Where can I buy RefChem:377131?
You can request a quote for RefChem:377131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377131?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.