4-Nitrophenylethyl 5-chloropentylphosphonate
TL;DR: 4-Nitrophenylethyl 5-chloropentylphosphonate (CAS 3317-59-7) is a chemical compound with molecular formula C13H19ClNO5P and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloropentyl-[2-(4-nitrophenyl)ethoxy]phosphinic acid
Also Known As: 4-Nitrophenylethyl 5-chloropentylphosphonate, Cid 151092, p-Nitrophenylethyl 5-chloropentylphosphonate, para-Nitrophenylethyl 5-chloropentylphosphonate, 5-chloropentyl-[2-(4-nitrophenyl)ethoxy]phosphinic acid
| Molecular Formula | C13H19ClNO5P |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 335.06894 |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 3317-59-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CCOP(=O)(CCCCCCl)O)[N+](=O)[O-] |
| InChIKey | MPGWBJWPEOMIBC-UHFFFAOYSA-N |
Product Overview
4-Nitrophenylethyl 5-chloropentylphosphonate (CAS 3317-59-7), with molecular formula C13H19ClNO5P and molecular weight 335.07 g/mol. IUPAC: 5-chloropentyl-[2-(4-nitrophenyl)ethoxy]phosphinic acid.
Chemical Property Profile of 4-Nitrophenylethyl 5-chloropentylphosphonate
Property Insights of 4-Nitrophenylethyl 5-chloropentylphosphonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenylethyl 5-chloropentylphosphonate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenylethyl 5-chloropentylphosphonate. Following Lipinski's Rule of Five, 4-Nitrophenylethyl 5-chloropentylphosphonate has 1 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 4-Nitrophenylethyl 5-chloropentylphosphonate?
The CAS number of 4-Nitrophenylethyl 5-chloropentylphosphonate is 3317-59-7.
What is the molecular formula of 4-Nitrophenylethyl 5-chloropentylphosphonate?
The molecular formula of 4-Nitrophenylethyl 5-chloropentylphosphonate is C13H19ClNO5P.
What is the molecular weight of 4-Nitrophenylethyl 5-chloropentylphosphonate?
The molecular weight of 4-Nitrophenylethyl 5-chloropentylphosphonate is 335.07 g/mol.
Where can I buy 4-Nitrophenylethyl 5-chloropentylphosphonate?
You can request a quote for 4-Nitrophenylethyl 5-chloropentylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenylethyl 5-chloropentylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenylethyl 5-chloropentylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.