Dihexyl hexylphosphonate
TL;DR: Dihexyl hexylphosphonate (CAS 91182-56-8) is a chemical compound with molecular formula C18H39O3P and molecular weight 334.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[hexoxy(hexyl)phosphoryl]oxyhexane
Also Known As: dihexyl hexylphosphonate, Phosphonic acid, dihexyl ester, hexyl-phosphonic acid dihexyl ester, Phosphonic acid, hexyl-, dihexyl ester, 1-[hexoxy(hexyl)phosphoryl]oxyhexane
| Molecular Formula | C18H39O3P |
|---|---|
| Molecular Weight | 334.26 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 334.26367 |
| Heavy Atoms | 22 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 91182-56-8 |
|---|---|
| SMILES | CCCCCCOP(=O)(CCCCCC)OCCCCCC |
| InChIKey | AQKIXTCXLQZFMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihexyl hexylphosphonate (CAS 91182-56-8), with molecular formula C18H39O3P and molecular weight 334.26 g/mol. IUPAC: 1-[hexoxy(hexyl)phosphoryl]oxyhexane.
Chemical Property Profile of Dihexyl hexylphosphonate
Property Insights of Dihexyl hexylphosphonate
The XLogP value of 6.5 indicates that Dihexyl hexylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Dihexyl hexylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihexyl hexylphosphonate 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 Dihexyl hexylphosphonate?
The CAS number of Dihexyl hexylphosphonate is 91182-56-8.
What is the molecular formula of Dihexyl hexylphosphonate?
The molecular formula of Dihexyl hexylphosphonate is C18H39O3P.
What is the molecular weight of Dihexyl hexylphosphonate?
The molecular weight of Dihexyl hexylphosphonate is 334.26 g/mol.
Where can I buy Dihexyl hexylphosphonate?
You can request a quote for Dihexyl hexylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihexyl hexylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dihexyl hexylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.