4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate
TL;DR: 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate (CAS 76765-22-5) is a chemical compound with molecular formula C17H27N2O8P and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(4-nitrophenoxy)-6-oxohexyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Epc-nph, 6-Carboxyhexylphosphocholine p-Nitrophenyl Ester, 4-Nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate, p-Nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate, p-nitrophenyl 6-(O-phosphocholine)hydroxyhexanoate
| Molecular Formula | C17H27N2O8P |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 418.1505 |
| Heavy Atoms | 28 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 76765-22-5 |
|---|---|
| SMILES | C[N+](C)(C)CCOP(=O)([O-])OCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | QTQKYDHSYAZAJN-UHFFFAOYSA-N |
Product Overview
4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate (CAS 76765-22-5), with molecular formula C17H27N2O8P and molecular weight 418.15 g/mol. IUPAC: [6-(4-nitrophenoxy)-6-oxohexyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate
Property Insights of 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate. Following Lipinski's Rule of Five, 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate has 0 hydrogen bond donor(s) and 8 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-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate?
The CAS number of 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate is 76765-22-5.
What is the molecular formula of 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate?
The molecular formula of 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate is C17H27N2O8P.
What is the molecular weight of 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate?
The molecular weight of 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate is 418.15 g/mol.
Where can I buy 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate?
You can request a quote for 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrophenyl-6-(O-phosphocholine)hydroxyhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.