![1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium structure](/static/products/1287/128787-74-6.webp)
1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium
TL;DR: 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium (CAS 128787-74-6) is a chemical compound with molecular formula C13H13N2O3+ and molecular weight 245.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-nitrophenyl)methoxymethyl]pyridin-1-ium
Also Known As: 238Cm, Curium, isotope of mass 238, m-Nitrobenzyloxymethylpyridinium, KST-1B2938, 1-{[(3-nitrobenzyl)oxy]methyl}pyridinium
| Molecular Formula | C13H13N2O3+ |
|---|---|
| Molecular Weight | 245.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.09262 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 128787-74-6 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)COCC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | HWPOESZMKIQLRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium (CAS 128787-74-6), with molecular formula C13H13N2O3+ and molecular weight 245.09 g/mol. IUPAC: 1-[(3-nitrophenyl)methoxymethyl]pyridin-1-ium.
Chemical Property Profile of 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium
Property Insights of 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium. With a topological polar surface area (TPSA) of 58.9 Ų, 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium has 0 hydrogen bond donor(s) and 3 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 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium?
The CAS number of 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium is 128787-74-6.
What is the molecular formula of 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium?
The molecular formula of 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium is C13H13N2O3+.
What is the molecular weight of 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium?
The molecular weight of 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium is 245.09 g/mol.
Where can I buy 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium?
You can request a quote for 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Nitrophenyl)methoxymethyl]pyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.