![2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate structure](/static/products/6129/6129-88-0.webp)
2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate
TL;DR: 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate (CAS 6129-88-0) is a chemical compound with molecular formula C21H22N3O5S+ and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate
Also Known As: 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate, 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-yl]ethyl]pyridin-4-yl]ethanesulfonate, 2-[1-(2-{4-[(4-Nitrophenyl)methyl]pyridin-1-ium-1-yl}ethyl)pyridin-1-ium-4-yl]ethane-1-sulfonate
| Molecular Formula | C21H22N3O5S+ |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 1.5485 |
| Topological Polar Surface Area | 108.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.12802 |
| Heavy Atoms | 30 |
| Complexity | 1096.8885 |
Chemical Identifiers
| CAS Number | 6129-88-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC[N+]3=CC=C(C=C3)CCS(=O)(=O)[O-])[N+](=O)[O-] |
Product Overview
2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate (CAS 6129-88-0), with molecular formula C21H22N3O5S+ and molecular weight 428.13 g/mol. IUPAC: 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate.
Chemical Property Profile of 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate
Property Insights of 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate
The XLogP value of 1.5485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate. The TPSA of 108.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate. Following Lipinski's Rule of Five, 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate?
The CAS number of 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate is 6129-88-0.
What is the molecular formula of 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate?
The molecular formula of 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate is C21H22N3O5S+.
What is the molecular weight of 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate?
The molecular weight of 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate is 428.13 g/mol.
Where can I buy 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate?
You can request a quote for 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]ethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.