SN 16814
TL;DR: SN 16814 (CAS 60172-11-4) is a chemical compound with molecular formula C50H52N6O10S2 and molecular weight 960.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: SN 16814, Pyridinium, 3,3'-(bicyclo(2.2.2)octane-1,4-diylbis(carbonylimino-4,1-phenylenecarbonylimino))bis(1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2), 1-N,4-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide; 4-methylbenzenesulfonate
| Molecular Formula | C50H52N6O10S2 |
|---|---|
| Molecular Weight | 960.32 g/mol |
| LogP | 6.55624 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 960.31866 |
| Heavy Atoms | 68 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 60172-11-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C34CCC(CC3)(CC4)C(=O)NC5=CC=C(C=C5)C(=O)NC6=C[N+](=CC=C6)C |
| InChIKey | MLUISGDAOOPPDQ-UHFFFAOYSA-N |
Product Overview
SN 16814 (CAS 60172-11-4), with molecular formula C50H52N6O10S2 and molecular weight 960.32 g/mol. IUPAC: 1-N,4-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of SN 16814
Property Insights of SN 16814
The XLogP value of 6.55624 indicates that SN 16814 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 255.0 Ų indicates high polarity, suggesting SN 16814 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SN 16814 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 16814?
The CAS number of SN 16814 is 60172-11-4.
What is the molecular formula of SN 16814?
The molecular formula of SN 16814 is C50H52N6O10S2.
What is the molecular weight of SN 16814?
The molecular weight of SN 16814 is 960.32 g/mol.
Where can I buy SN 16814?
You can request a quote for SN 16814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SN 16814?
Yes, KEHONG BIO provides custom synthesis services for SN 16814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.