Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester
TL;DR: Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester (CAS 33973-56-7) is a chemical compound with molecular formula C15H25O3P and molecular weight 284.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylpentylbenzene
Also Known As: Diethyl 1-phenylpentylphosphonate, 1-diethoxyphosphorylpentylbenzene, diethyl(1-phenylpentyl)phosphonate, Phosphonic acid, diethyl ester, Diethyl (alpha-butylbenzyl)phosphonate
| Molecular Formula | C15H25O3P |
|---|---|
| Molecular Weight | 284.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 284.15414 |
| Heavy Atoms | 19 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 33973-56-7 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)P(=O)(OCC)OCC |
| InChIKey | YXYYZPDGOACFLV-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester (CAS 33973-56-7), with molecular formula C15H25O3P and molecular weight 284.15 g/mol. IUPAC: 1-diethoxyphosphorylpentylbenzene.
Chemical Property Profile of Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester
Property Insights of Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester
The XLogP value of 3.5 indicates that Phosphonic acid, (alpha-butylbenzyl)-, diethyl 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, (alpha-butylbenzyl)-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (alpha-butylbenzyl)-, diethyl 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, (alpha-butylbenzyl)-, diethyl ester?
The CAS number of Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester is 33973-56-7.
What is the molecular formula of Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester?
The molecular formula of Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester is C15H25O3P.
What is the molecular weight of Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester?
The molecular weight of Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester is 284.15 g/mol.
Where can I buy Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester?
You can request a quote for Phosphonic acid, (alpha-butylbenzyl)-, diethyl 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, (alpha-butylbenzyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.