Dimethyl hexylphosphonate
TL;DR: Dimethyl hexylphosphonate (CAS 6172-92-5) is a chemical compound with molecular formula C8H19O3P and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dimethoxyphosphorylhexane
Also Known As: Dimethyl hexylphosphonate, 1-dimethoxyphosphorylhexane, Hexyl-phosphonsaeure-dimethylester, NCI60_008698
| Molecular Formula | C8H19O3P |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 194.10718 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 6172-92-5 |
|---|---|
| SMILES | CCCCCCP(=O)(OC)OC |
| InChIKey | IUZXGJKDSGEWCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl hexylphosphonate (CAS 6172-92-5), with molecular formula C8H19O3P and molecular weight 194.11 g/mol. IUPAC: 1-dimethoxyphosphorylhexane.
Chemical Property Profile of Dimethyl hexylphosphonate
Property Insights of Dimethyl hexylphosphonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl hexylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Dimethyl hexylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl hexylphosphonate has 0 hydrogen bond donor(s) and 3 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 Dimethyl hexylphosphonate?
The CAS number of Dimethyl hexylphosphonate is 6172-92-5.
What is the molecular formula of Dimethyl hexylphosphonate?
The molecular formula of Dimethyl hexylphosphonate is C8H19O3P.
What is the molecular weight of Dimethyl hexylphosphonate?
The molecular weight of Dimethyl hexylphosphonate is 194.11 g/mol.
Where can I buy Dimethyl hexylphosphonate?
You can request a quote for Dimethyl hexylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl hexylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl hexylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.