Diethyl 2-ethoxy-5-methyl-benzylphosphonate
TL;DR: Diethyl 2-ethoxy-5-methyl-benzylphosphonate (CAS 18261-72-8) is a chemical compound with molecular formula C14H23O4P and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxyphosphorylmethyl)-1-ethoxy-4-methylbenzene
Also Known As: diethyl 2-ethoxy-5-methyl-benzylphosphonate, 2-(diethoxyphosphorylmethyl)-1-ethoxy-4-methylbenzene, (2-ethoxy-5-methyl-benzyl)-phosphonic acid diethyl ester, 2-(diethoxyphosphorylmethyl)-1-ethoxy-4-methyl-benzene
| Molecular Formula | C14H23O4P |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 4.15982 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 286.1334 |
| Heavy Atoms | 19 |
| Complexity | 435.07214 |
Chemical Identifiers
| CAS Number | 18261-72-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C)CP(=O)(OCC)OCC |
Product Overview
Diethyl 2-ethoxy-5-methyl-benzylphosphonate (CAS 18261-72-8), with molecular formula C14H23O4P and molecular weight 286.13 g/mol. IUPAC: 2-(diethoxyphosphorylmethyl)-1-ethoxy-4-methylbenzene.
Chemical Property Profile of Diethyl 2-ethoxy-5-methyl-benzylphosphonate
Property Insights of Diethyl 2-ethoxy-5-methyl-benzylphosphonate
The XLogP value of 4.15982 indicates that Diethyl 2-ethoxy-5-methyl-benzylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Diethyl 2-ethoxy-5-methyl-benzylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-ethoxy-5-methyl-benzylphosphonate has 0 hydrogen bond donor(s) and 4 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 Diethyl 2-ethoxy-5-methyl-benzylphosphonate?
The CAS number of Diethyl 2-ethoxy-5-methyl-benzylphosphonate is 18261-72-8.
What is the molecular formula of Diethyl 2-ethoxy-5-methyl-benzylphosphonate?
The molecular formula of Diethyl 2-ethoxy-5-methyl-benzylphosphonate is C14H23O4P.
What is the molecular weight of Diethyl 2-ethoxy-5-methyl-benzylphosphonate?
The molecular weight of Diethyl 2-ethoxy-5-methyl-benzylphosphonate is 286.13 g/mol.
Where can I buy Diethyl 2-ethoxy-5-methyl-benzylphosphonate?
You can request a quote for Diethyl 2-ethoxy-5-methyl-benzylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-ethoxy-5-methyl-benzylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-ethoxy-5-methyl-benzylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.