Diethyl 1-hexynyl phosphate
TL;DR: Diethyl 1-hexynyl phosphate (CAS 112270-92-5) is a chemical compound with molecular formula C10H19O4P and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl hex-1-ynyl phosphate
Also Known As: Diethyl 1-hexynyl phosphate, diethyl hex-1-ynyl phosphate, hexynyl diethyl phosphate, DIETHYL HEX-1-YN-1-YL PHOSPHATE, Phosphoric acid, diethyl 1-hexynyl ester
| Molecular Formula | C10H19O4P |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.1021 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 112270-92-5 |
|---|---|
| SMILES | CCCCC#COP(=O)(OCC)OCC |
| InChIKey | SRHMQOZWLWWSEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 1-hexynyl phosphate (CAS 112270-92-5), with molecular formula C10H19O4P and molecular weight 234.10 g/mol. IUPAC: diethyl hex-1-ynyl phosphate.
Chemical Property Profile of Diethyl 1-hexynyl phosphate
Property Insights of Diethyl 1-hexynyl phosphate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1-hexynyl phosphate. With a topological polar surface area (TPSA) of 44.8 Ų, Diethyl 1-hexynyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 1-hexynyl phosphate 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 Diethyl 1-hexynyl phosphate?
The CAS number of Diethyl 1-hexynyl phosphate is 112270-92-5.
What is the molecular formula of Diethyl 1-hexynyl phosphate?
The molecular formula of Diethyl 1-hexynyl phosphate is C10H19O4P.
What is the molecular weight of Diethyl 1-hexynyl phosphate?
The molecular weight of Diethyl 1-hexynyl phosphate is 234.10 g/mol.
Where can I buy Diethyl 1-hexynyl phosphate?
You can request a quote for Diethyl 1-hexynyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-hexynyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-hexynyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.