Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate
TL;DR: Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate (CAS 203193-00-4) is a chemical compound with molecular formula C18H31O5P and molecular weight 358.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-diethoxyphosphoryl-4,4-diethoxybutyl)benzene
Also Known As: DIETHYL[3,3-DIETHOXY-1-(PHENYLMETHYL)PROPYL]PHOSPHONATE, (2-diethoxyphosphoryl-4,4-diethoxybutyl)benzene, (2-diethoxyphosphoryl-4,4-diethoxy-butyl)benzene, diethyl (4,4-diethoxy-1-phenylbutan-2-yl)phosphonate, Diethyl[3,3-diethoxy-1-benzylpropyl phosphonate
| Molecular Formula | C18H31O5P |
|---|---|
| Molecular Weight | 358.19 g/mol |
| LogP | 4.653 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 358.19092 |
| Heavy Atoms | 24 |
| Complexity | 463.55728 |
Chemical Identifiers
| CAS Number | 203193-00-4 |
|---|---|
| SMILES | CCOC(CC(CC1=CC=CC=C1)P(=O)(OCC)OCC)OCC |
Product Overview
Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate (CAS 203193-00-4), with molecular formula C18H31O5P and molecular weight 358.19 g/mol. IUPAC: (2-diethoxyphosphoryl-4,4-diethoxybutyl)benzene.
Chemical Property Profile of Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate
Property Insights of Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate
The XLogP value of 4.653 indicates that Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate has 0 hydrogen bond donor(s) and 5 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[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate?
The CAS number of Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate is 203193-00-4.
What is the molecular formula of Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate?
The molecular formula of Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate is C18H31O5P.
What is the molecular weight of Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate?
The molecular weight of Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate is 358.19 g/mol.
Where can I buy Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate?
You can request a quote for Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl[3,3-diethoxy-1-(phenylmethyl)propyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.