Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate
TL;DR: Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate (CAS 3015-84-7) is a chemical compound with molecular formula C13H21N2O5P and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[ethoxy-(4-nitrophenoxy)phosphoryl]pentan-1-amine
Also Known As: Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate, (5-Aminopentyl)phosphonic acid ethyl p-nitrophenyl ester, Phosphonic acid, (5-aminopentyl)-, ethyl p-nitrophenyl ester, 5-[ethoxy-(4-nitrophenoxy)phosphoryl]pentan-1-amine, (5-Aminopentyl)phosphonic acid ethyl(p-nitrophenyl) ester
| Molecular Formula | C13H21N2O5P |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 316.1188 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 3015-84-7 |
|---|---|
| SMILES | CCOP(=O)(CCCCCN)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | CNEBENGMPHMVBW-UHFFFAOYSA-N |
Product Overview
Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate (CAS 3015-84-7), with molecular formula C13H21N2O5P and molecular weight 316.12 g/mol. IUPAC: 5-[ethoxy-(4-nitrophenoxy)phosphoryl]pentan-1-amine.
Chemical Property Profile of Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate
Property Insights of Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate. Following Lipinski's Rule of Five, Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate has 1 hydrogen bond donor(s) and 6 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 (5-aminopentyl)phosphonate?
The CAS number of Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate is 3015-84-7.
What is the molecular formula of Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate?
The molecular formula of Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate is C13H21N2O5P.
What is the molecular weight of Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate?
The molecular weight of Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate is 316.12 g/mol.
Where can I buy Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate?
You can request a quote for Ethyl 4-nitrophenyl (5-aminopentyl)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 (5-aminopentyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitrophenyl (5-aminopentyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.