2-Heptyl-2-nitrophenylmethylphosphonate
TL;DR: 2-Heptyl-2-nitrophenylmethylphosphonate (CAS 56402-39-2) is a chemical compound with molecular formula C14H22NO5P and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[heptoxy(methyl)phosphoryl]oxy-2-nitrobenzene
Also Known As: ortho-Heptyl-ortho-nitrophenylmethylphosphonate, 2-Heptyl-2-nitrophenylmethylphosphonate, Heptyl 2-nitrophenyl methylphosphonate, 1-[heptoxy(methyl)phosphoryl]oxy-2-nitrobenzene, Phosphonic acid, methyl-, heptyl 2-nitrophenyl ester
| Molecular Formula | C14H22NO5P |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 4.7835 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 315.12357 |
| Heavy Atoms | 21 |
| Complexity | 505.89267 |
Chemical Identifiers
| CAS Number | 56402-39-2 |
|---|---|
| SMILES | CCCCCCCOP(=O)(C)OC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
2-Heptyl-2-nitrophenylmethylphosphonate (CAS 56402-39-2), with molecular formula C14H22NO5P and molecular weight 315.12 g/mol. IUPAC: 1-[heptoxy(methyl)phosphoryl]oxy-2-nitrobenzene.
Chemical Property Profile of 2-Heptyl-2-nitrophenylmethylphosphonate
Property Insights of 2-Heptyl-2-nitrophenylmethylphosphonate
The XLogP value of 4.7835 indicates that 2-Heptyl-2-nitrophenylmethylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Heptyl-2-nitrophenylmethylphosphonate. Following Lipinski's Rule of Five, 2-Heptyl-2-nitrophenylmethylphosphonate 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-Heptyl-2-nitrophenylmethylphosphonate?
The CAS number of 2-Heptyl-2-nitrophenylmethylphosphonate is 56402-39-2.
What is the molecular formula of 2-Heptyl-2-nitrophenylmethylphosphonate?
The molecular formula of 2-Heptyl-2-nitrophenylmethylphosphonate is C14H22NO5P.
What is the molecular weight of 2-Heptyl-2-nitrophenylmethylphosphonate?
The molecular weight of 2-Heptyl-2-nitrophenylmethylphosphonate is 315.12 g/mol.
Where can I buy 2-Heptyl-2-nitrophenylmethylphosphonate?
You can request a quote for 2-Heptyl-2-nitrophenylmethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptyl-2-nitrophenylmethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptyl-2-nitrophenylmethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.