Phosphonic acid, (1-methylethyl)-, dibutyl ester
TL;DR: Phosphonic acid, (1-methylethyl)-, dibutyl ester (CAS 919-21-1) is a chemical compound with molecular formula C11H25O3P and molecular weight 236.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butoxy(propan-2-yl)phosphoryl]oxybutane
Also Known As: Dibutyl isopropylphosphonate, Dibutyl isopropylphosphonate #, Dibutyl propan-2-ylphosphonate, O,O-dibutyl isopropylphosphonate, dibutyl (propan-2-yl)phosphonate
| Molecular Formula | C11H25O3P |
|---|---|
| Molecular Weight | 236.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 236.15413 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 919-21-1 |
|---|---|
| SMILES | CCCCOP(=O)(C(C)C)OCCCC |
| InChIKey | VKCOKGXTJTZOOI-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (1-methylethyl)-, dibutyl ester (CAS 919-21-1), with molecular formula C11H25O3P and molecular weight 236.15 g/mol. IUPAC: 1-[butoxy(propan-2-yl)phosphoryl]oxybutane.
Chemical Property Profile of Phosphonic acid, (1-methylethyl)-, dibutyl ester
Property Insights of Phosphonic acid, (1-methylethyl)-, dibutyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (1-methylethyl)-, dibutyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, (1-methylethyl)-, dibutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (1-methylethyl)-, 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, (1-methylethyl)-, dibutyl ester?
The CAS number of Phosphonic acid, (1-methylethyl)-, dibutyl ester is 919-21-1.
What is the molecular formula of Phosphonic acid, (1-methylethyl)-, dibutyl ester?
The molecular formula of Phosphonic acid, (1-methylethyl)-, dibutyl ester is C11H25O3P.
What is the molecular weight of Phosphonic acid, (1-methylethyl)-, dibutyl ester?
The molecular weight of Phosphonic acid, (1-methylethyl)-, dibutyl ester is 236.15 g/mol.
Where can I buy Phosphonic acid, (1-methylethyl)-, dibutyl ester?
You can request a quote for Phosphonic acid, (1-methylethyl)-, 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, (1-methylethyl)-, dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (1-methylethyl)-, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.