Phosphonic acid, allyl-, dibutyl ester
TL;DR: Phosphonic acid, allyl-, dibutyl ester (CAS 45154-23-2) is a chemical compound with molecular formula C11H23O3P and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butoxy(prop-2-enyl)phosphoryl]oxybutane
Also Known As: Dibutyl allylphosphonate, Phosphonic acid, allyl-, dibutyl ester, di-n-butyl allylphosphonate, 2-Propene-1-phosphonic acid, dibutyl ester, Allylphosphonic acid dibutyl ester
| Molecular Formula | C11H23O3P |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 234.13849 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 45154-23-2 |
|---|---|
| SMILES | CCCCOP(=O)(CC=C)OCCCC |
| InChIKey | KDBATBQFNNDWCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonic acid, allyl-, dibutyl ester (CAS 45154-23-2), with molecular formula C11H23O3P and molecular weight 234.14 g/mol. IUPAC: 1-[butoxy(prop-2-enyl)phosphoryl]oxybutane.
Chemical Property Profile of Phosphonic acid, allyl-, dibutyl ester
Property Insights of Phosphonic acid, allyl-, dibutyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, allyl-, dibutyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, allyl-, dibutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, allyl-, dibutyl 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, allyl-, dibutyl ester?
The CAS number of Phosphonic acid, allyl-, dibutyl ester is 45154-23-2.
What is the molecular formula of Phosphonic acid, allyl-, dibutyl ester?
The molecular formula of Phosphonic acid, allyl-, dibutyl ester is C11H23O3P.
What is the molecular weight of Phosphonic acid, allyl-, dibutyl ester?
The molecular weight of Phosphonic acid, allyl-, dibutyl ester is 234.14 g/mol.
Where can I buy Phosphonic acid, allyl-, dibutyl ester?
You can request a quote for Phosphonic acid, allyl-, dibutyl 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, allyl-, dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, allyl-, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.