Phosphoric acid, dibutyl 2-propynyl ester
TL;DR: Phosphoric acid, dibutyl 2-propynyl ester (CAS 18687-46-2) is a chemical compound with molecular formula C11H21O4P and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl prop-2-ynyl phosphate
Also Known As: Dibutyl propargyl phosphate, dibutyl prop-2-ynyl phosphate, (2-Propynyl)dibutyl=phosphate, dibutyl prop-2-yn-1-yl phosphate, Phosphoric acid, dibutyl 2-propynyl ester
| Molecular Formula | C11H21O4P |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 248.11775 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 18687-46-2 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)OCC#C |
| InChIKey | SBVUHOGAKJAIPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphoric acid, dibutyl 2-propynyl ester (CAS 18687-46-2), with molecular formula C11H21O4P and molecular weight 248.12 g/mol. IUPAC: dibutyl prop-2-ynyl phosphate.
Chemical Property Profile of Phosphoric acid, dibutyl 2-propynyl ester
Property Insights of Phosphoric acid, dibutyl 2-propynyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, dibutyl 2-propynyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, dibutyl 2-propynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, dibutyl 2-propynyl ester 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 Phosphoric acid, dibutyl 2-propynyl ester?
The CAS number of Phosphoric acid, dibutyl 2-propynyl ester is 18687-46-2.
What is the molecular formula of Phosphoric acid, dibutyl 2-propynyl ester?
The molecular formula of Phosphoric acid, dibutyl 2-propynyl ester is C11H21O4P.
What is the molecular weight of Phosphoric acid, dibutyl 2-propynyl ester?
The molecular weight of Phosphoric acid, dibutyl 2-propynyl ester is 248.12 g/mol.
Where can I buy Phosphoric acid, dibutyl 2-propynyl ester?
You can request a quote for Phosphoric acid, dibutyl 2-propynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, dibutyl 2-propynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, dibutyl 2-propynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.