2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate
TL;DR: 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate (CAS 100258-39-7) is a chemical compound with molecular formula C17H29O5P and molecular weight 344.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(7-methyloctyl)phenoxy]ethyl dihydrogen phosphate
Also Known As: 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate, 2-[4-(7-methyloctyl)phenoxy]ethyl dihydrogen phosphate, 2-(2(Or4)-isononylphenoxy)ethyl dihydrogen phosphate, 2-[2(or4)-isononylphenoxy]ethyl dihydrogen phosphate, EINECS 309-383-1
| Molecular Formula | C17H29O5P |
|---|---|
| Molecular Weight | 344.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 344.17526 |
| Heavy Atoms | 23 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 100258-39-7 |
|---|---|
| SMILES | CC(C)CCCCCCC1=CC=C(C=C1)OCCOP(=O)(O)O |
| InChIKey | SVVDLSHAPBYPFP-UHFFFAOYSA-N |
Product Overview
2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate (CAS 100258-39-7), with molecular formula C17H29O5P and molecular weight 344.18 g/mol. IUPAC: 2-[4-(7-methyloctyl)phenoxy]ethyl dihydrogen phosphate.
Chemical Property Profile of 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate
Property Insights of 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate
The XLogP value of 4.4 indicates that 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate. Following Lipinski's Rule of Five, 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate has 2 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-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate?
The CAS number of 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate is 100258-39-7.
What is the molecular formula of 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate?
The molecular formula of 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate is C17H29O5P.
What is the molecular weight of 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate?
The molecular weight of 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate is 344.18 g/mol.
Where can I buy 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate?
You can request a quote for 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2(or 4)-Isononylphenoxy)ethyl dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.