Propyl 2-propyn-1-yl P-phenylphosphonate
TL;DR: Propyl 2-propyn-1-yl P-phenylphosphonate (CAS 18705-22-1) is a chemical compound with molecular formula C12H15O3P and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[propoxy(prop-2-ynoxy)phosphoryl]benzene
Also Known As: Niagara 16388, Propyl-2-propynylphenylphosphonate, NIA 16,388, propyl prop-2-yn-1-yl phenylphosphonate, [propoxy(prop-2-ynoxy)phosphoryl]benzene
| Molecular Formula | C12H15O3P |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.07588 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 18705-22-1 |
|---|---|
| SMILES | CCCOP(=O)(C1=CC=CC=C1)OCC#C |
| InChIKey | YSVDXOJUVQMPCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2-propyn-1-yl P-phenylphosphonate (CAS 18705-22-1), with molecular formula C12H15O3P and molecular weight 238.08 g/mol. IUPAC: [propoxy(prop-2-ynoxy)phosphoryl]benzene.
Chemical Property Profile of Propyl 2-propyn-1-yl P-phenylphosphonate
Property Insights of Propyl 2-propyn-1-yl P-phenylphosphonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-propyn-1-yl P-phenylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Propyl 2-propyn-1-yl P-phenylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-propyn-1-yl P-phenylphosphonate 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 Propyl 2-propyn-1-yl P-phenylphosphonate?
The CAS number of Propyl 2-propyn-1-yl P-phenylphosphonate is 18705-22-1.
What is the molecular formula of Propyl 2-propyn-1-yl P-phenylphosphonate?
The molecular formula of Propyl 2-propyn-1-yl P-phenylphosphonate is C12H15O3P.
What is the molecular weight of Propyl 2-propyn-1-yl P-phenylphosphonate?
The molecular weight of Propyl 2-propyn-1-yl P-phenylphosphonate is 238.08 g/mol.
Where can I buy Propyl 2-propyn-1-yl P-phenylphosphonate?
You can request a quote for Propyl 2-propyn-1-yl P-phenylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-propyn-1-yl P-phenylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-propyn-1-yl P-phenylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.