3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate)
TL;DR: 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate) (CAS 70198-18-4) is a chemical compound with molecular formula C25H53O8P and molecular weight 512.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
Also Known As: 3,6,9,12-Tetraoxanonacosyl dihydrogen phosphate, 3,6,9,12-Tetraoxanonacosan-1-ol, dihydrogen phosphate, 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate), (3,6,9,12-tetraoxanonacosan-1-yloxy)phosphonic acid, 3,6,9,12-Tetraoxanonacosan-1-yl dihydrogen phosphate
| Molecular Formula | C25H53O8P |
|---|---|
| Molecular Weight | 512.35 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 29 |
| Exact Mass | 512.3478 |
| Heavy Atoms | 34 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 70198-18-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(O)O |
| InChIKey | MPESRJWPJGWNME-UHFFFAOYSA-N |
Product Overview
3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate) (CAS 70198-18-4), with molecular formula C25H53O8P and molecular weight 512.35 g/mol. IUPAC: 2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate.
Chemical Property Profile of 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate)
Property Insights of 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate)
The XLogP value of 6.1 indicates that 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate). Following Lipinski's Rule of Five, 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate)?
The CAS number of 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate) is 70198-18-4.
What is the molecular formula of 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate)?
The molecular formula of 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate) is C25H53O8P.
What is the molecular weight of 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate)?
The molecular weight of 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate) is 512.35 g/mol.
Where can I buy 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate)?
You can request a quote for 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate)?
Yes, KEHONG BIO provides custom synthesis services for 3,6,9,12-Tetraoxanonacosan-1-ol, 1-(dihydrogen phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.