Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate
TL;DR: Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate (CAS 3015-82-5) is a chemical compound with molecular formula C14H21ClNO5P and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-chlorohexyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
Also Known As: p-Nitrophenyl ethyl 6-chlorohexylphosphonate, phosphonicacidethylp-nitrophenylester, Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate, Phosphonic acid, 6-chlorohexyl-, ethyl p-nitrophenyl ester, 1-[6-chlorohexyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
| Molecular Formula | C14H21ClNO5P |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 349.0846 |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 3015-82-5 |
|---|---|
| SMILES | CCOP(=O)(CCCCCCCl)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | YYHXAVHJLPMEBV-UHFFFAOYSA-N |
Product Overview
Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate (CAS 3015-82-5), with molecular formula C14H21ClNO5P and molecular weight 349.08 g/mol. IUPAC: 1-[6-chlorohexyl(ethoxy)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate
Property Insights of Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate
The XLogP value of 3.5 indicates that Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate. Following Lipinski's Rule of Five, Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate 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 Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate?
The CAS number of Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate is 3015-82-5.
What is the molecular formula of Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate?
The molecular formula of Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate is C14H21ClNO5P.
What is the molecular weight of Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate?
The molecular weight of Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate is 349.08 g/mol.
Where can I buy Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate?
You can request a quote for Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitrophenyl (6-chlorohexyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.