Bis(2-ethylhexyl) phosphorochloridate
TL;DR: Bis(2-ethylhexyl) phosphorochloridate (CAS 63449-80-9) is a chemical compound with molecular formula C16H34ClO3P and molecular weight 340.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[chloro(2-ethylhexoxy)phosphoryl]oxymethyl]heptane
Also Known As: Bis(2-ethylhexyl) phosphorochloridate, Phosphorochloridic acid, bis(2-ethylhexyl) ester, di-(2-ethylhexyl) phosphorochloridate, Chlorophosphonic acid bis(2-ethylhexyl) ester, 3-[[chloro(2-ethylhexoxy)phosphoryl]oxymethyl]heptane
| Molecular Formula | C16H34ClO3P |
|---|---|
| Molecular Weight | 340.19 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 340.19342 |
| Heavy Atoms | 21 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 63449-80-9 |
|---|---|
| SMILES | CCCCC(CC)COP(=O)(OCC(CC)CCCC)Cl |
| InChIKey | KAUDXYPROPQHMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-ethylhexyl) phosphorochloridate (CAS 63449-80-9), with molecular formula C16H34ClO3P and molecular weight 340.19 g/mol. IUPAC: 3-[[chloro(2-ethylhexoxy)phosphoryl]oxymethyl]heptane.
Chemical Property Profile of Bis(2-ethylhexyl) phosphorochloridate
Property Insights of Bis(2-ethylhexyl) phosphorochloridate
The XLogP value of 6.5 indicates that Bis(2-ethylhexyl) phosphorochloridate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Bis(2-ethylhexyl) phosphorochloridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-ethylhexyl) phosphorochloridate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2-ethylhexyl) phosphorochloridate?
The CAS number of Bis(2-ethylhexyl) phosphorochloridate is 63449-80-9.
What is the molecular formula of Bis(2-ethylhexyl) phosphorochloridate?
The molecular formula of Bis(2-ethylhexyl) phosphorochloridate is C16H34ClO3P.
What is the molecular weight of Bis(2-ethylhexyl) phosphorochloridate?
The molecular weight of Bis(2-ethylhexyl) phosphorochloridate is 340.19 g/mol.
Where can I buy Bis(2-ethylhexyl) phosphorochloridate?
You can request a quote for Bis(2-ethylhexyl) phosphorochloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-ethylhexyl) phosphorochloridate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-ethylhexyl) phosphorochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.