磷酸二乙酰酯
TL;DR: 磷酸二乙酰酯 (CAS 3614-36-6) is a chemical compound with molecular formula C4H7O6P and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸二乙酰酯
[acetyloxy(hydroxy)phosphoryl] acetate
Also Known As: Diacetyl phosphate, diacetylphosphat, diacetylphosphate, diacetyl-phosphoric acid, diacetyl hydrogen phosphate
| Molecular Formula | C4H7O6P |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.99803 |
| Heavy Atoms | 11 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 3614-36-6 |
|---|---|
| SMILES | CC(=O)OP(=O)(O)OC(=O)C |
| InChIKey | XLLNINGEDIOQGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸二乙酰酯 (CAS 3614-36-6), with molecular formula C4H7O6P and molecular weight 182.00 g/mol. IUPAC: [acetyloxy(hydroxy)phosphoryl] acetate.
Chemical Property Profile of 磷酸二乙酰酯
Property Insights of 磷酸二乙酰酯
The XLogP value of -0.9 indicates that 磷酸二乙酰酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 磷酸二乙酰酯. Following Lipinski's Rule of Five, 磷酸二乙酰酯 has 1 hydrogen bond donor(s) and 6 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 磷酸二乙酰酯?
The CAS number of 磷酸二乙酰酯 is 3614-36-6.
What is the molecular formula of 磷酸二乙酰酯?
The molecular formula of 磷酸二乙酰酯 is C4H7O6P.
What is the molecular weight of 磷酸二乙酰酯?
The molecular weight of 磷酸二乙酰酯 is 182.00 g/mol.
Where can I buy 磷酸二乙酰酯?
You can request a quote for 磷酸二乙酰酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸二乙酰酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸二乙酰酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.