Phosphonic acid, methyl-, dihexyl ester
TL;DR: Phosphonic acid, methyl-, dihexyl ester (CAS 77304-63-3) is a chemical compound with molecular formula C13H29O3P and molecular weight 264.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[hexoxy(methyl)phosphoryl]oxyhexane
Also Known As: Dihexyl methylphosphonate, Phosphonic acid, methyl-, dihexyl ester, Dihexyl methylphosphonate #, Methylphosphonic acid, dihexyl ester, 1-[hexoxy(methyl)phosphoryl]oxyhexane
| Molecular Formula | C13H29O3P |
|---|---|
| Molecular Weight | 264.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 264.18542 |
| Heavy Atoms | 17 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 77304-63-3 |
|---|---|
| SMILES | CCCCCCOP(=O)(C)OCCCCCC |
| InChIKey | XMEOPSOYUNXCJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonic acid, methyl-, dihexyl ester (CAS 77304-63-3), with molecular formula C13H29O3P and molecular weight 264.19 g/mol. IUPAC: 1-[hexoxy(methyl)phosphoryl]oxyhexane.
Chemical Property Profile of Phosphonic acid, methyl-, dihexyl ester
Property Insights of Phosphonic acid, methyl-, dihexyl ester
The XLogP value of 4.1 indicates that Phosphonic acid, methyl-, dihexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, methyl-, dihexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, methyl-, dihexyl ester 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 Phosphonic acid, methyl-, dihexyl ester?
The CAS number of Phosphonic acid, methyl-, dihexyl ester is 77304-63-3.
What is the molecular formula of Phosphonic acid, methyl-, dihexyl ester?
The molecular formula of Phosphonic acid, methyl-, dihexyl ester is C13H29O3P.
What is the molecular weight of Phosphonic acid, methyl-, dihexyl ester?
The molecular weight of Phosphonic acid, methyl-, dihexyl ester is 264.19 g/mol.
Where can I buy Phosphonic acid, methyl-, dihexyl ester?
You can request a quote for Phosphonic acid, methyl-, dihexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, methyl-, dihexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, methyl-, dihexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.