Ethyl 2-(dibutoxyphosphoryl)dodecanoate
TL;DR: Ethyl 2-(dibutoxyphosphoryl)dodecanoate (CAS 6975-35-5) is a chemical compound with molecular formula C22H45O5P and molecular weight 420.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-dibutoxyphosphoryldodecanoate
Also Known As: ethyl 2-(dibutoxyphosphoryl)dodecanoate, ethyl 2-dibutoxyphosphoryldodecanoate, Dodecanoic acid,2-(dibutoxyphosphinyl)-, ethyl ester
| Molecular Formula | C22H45O5P |
|---|---|
| Molecular Weight | 420.30 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 21 |
| Exact Mass | 420.30048 |
| Heavy Atoms | 28 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 6975-35-5 |
|---|---|
| SMILES | CCCCCCCCCCC(C(=O)OCC)P(=O)(OCCCC)OCCCC |
| InChIKey | MLZFYRJHSLXFLK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(dibutoxyphosphoryl)dodecanoate (CAS 6975-35-5), with molecular formula C22H45O5P and molecular weight 420.30 g/mol. IUPAC: ethyl 2-dibutoxyphosphoryldodecanoate.
Chemical Property Profile of Ethyl 2-(dibutoxyphosphoryl)dodecanoate
Property Insights of Ethyl 2-(dibutoxyphosphoryl)dodecanoate
The XLogP value of 7.3 indicates that Ethyl 2-(dibutoxyphosphoryl)dodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(dibutoxyphosphoryl)dodecanoate. Following Lipinski's Rule of Five, Ethyl 2-(dibutoxyphosphoryl)dodecanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(dibutoxyphosphoryl)dodecanoate?
The CAS number of Ethyl 2-(dibutoxyphosphoryl)dodecanoate is 6975-35-5.
What is the molecular formula of Ethyl 2-(dibutoxyphosphoryl)dodecanoate?
The molecular formula of Ethyl 2-(dibutoxyphosphoryl)dodecanoate is C22H45O5P.
What is the molecular weight of Ethyl 2-(dibutoxyphosphoryl)dodecanoate?
The molecular weight of Ethyl 2-(dibutoxyphosphoryl)dodecanoate is 420.30 g/mol.
Where can I buy Ethyl 2-(dibutoxyphosphoryl)dodecanoate?
You can request a quote for Ethyl 2-(dibutoxyphosphoryl)dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(dibutoxyphosphoryl)dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(dibutoxyphosphoryl)dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.