SN-5754 Tosylate
TL;DR: SN-5754 Tosylate (CAS 27114-97-2) is a chemical compound with molecular formula C50H48N6O10S2 and molecular weight 956.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-N-[4-[[3-[[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridin-1-ium-3-carboxamide;bis(4-methylbenzenesulfonate)
Also Known As: SN-5754 Tosylate, Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate, 1-ethyl-3-[(4-{[3-({4-[(1-ethylpyridinium-3-yl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}phenyl)carbamoyl]pyridinium bis(4-methylbenzenesulfonate), Pyridinium, 3,3'-(1,4-phenylenebis(carbonylimino-4,1-phenylenecarbonylimino))bis(1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:1), 1-Ethyl-3-[(4-{[3-({4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}phenyl)carbamoyl]pyridin-1-ium bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C50H48N6O10S2 |
|---|---|
| Molecular Weight | 956.29 g/mol |
| LogP | 7.10884 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 956.28735 |
| Heavy Atoms | 68 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 27114-97-2 |
|---|---|
| SMILES | CC[N+]1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | YHFVRNNMZBFQRP-UHFFFAOYSA-N |
Product Overview
SN-5754 Tosylate (CAS 27114-97-2), with molecular formula C50H48N6O10S2 and molecular weight 956.29 g/mol. IUPAC: 1-ethyl-N-[4-[[3-[[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridin-1-ium-3-carboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of SN-5754 Tosylate
Property Insights of SN-5754 Tosylate
The XLogP value of 7.10884 indicates that SN-5754 Tosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 255.0 Ų indicates high polarity, suggesting SN-5754 Tosylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SN-5754 Tosylate has 4 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 SN-5754 Tosylate?
The CAS number of SN-5754 Tosylate is 27114-97-2.
What is the molecular formula of SN-5754 Tosylate?
The molecular formula of SN-5754 Tosylate is C50H48N6O10S2.
What is the molecular weight of SN-5754 Tosylate?
The molecular weight of SN-5754 Tosylate is 956.29 g/mol.
Where can I buy SN-5754 Tosylate?
You can request a quote for SN-5754 Tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SN-5754 Tosylate?
Yes, KEHONG BIO provides custom synthesis services for SN-5754 Tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.