磷酸二甲酯
TL;DR: 磷酸二甲酯 (CAS 813-78-5) is a chemical compound with molecular formula C2H7O4P and molecular weight 126.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸二甲酯
dimethyl hydrogen phosphate
Also Known As: Dimethyl hydrogen phosphate, DIMETHYL PHOSPHATE, Dimethylphosphate, dimethoxyphosphinic acid, O,O-Dimethyl phosphate
| Molecular Formula | C2H7O4P |
|---|---|
| Molecular Weight | 126.01 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.008194 |
| Heavy Atoms | 7 |
| Complexity | 81.0 |
| Boiling Point | 342 to 176.1 °C at 760 mmHg (decomposes) |
| Density | 1.335 at 25.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
Chemical Identifiers
| CAS Number | 813-78-5 |
|---|---|
| SMILES | COP(=O)(O)OC |
| InChIKey | KKUKTXOBAWVSHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸二甲酯 (CAS 813-78-5), with molecular formula C2H7O4P and molecular weight 126.01 g/mol. IUPAC: dimethyl hydrogen phosphate.
Chemical Property Profile of 磷酸二甲酯
Property Insights of 磷酸二甲酯
The XLogP value of -1.2 indicates that 磷酸二甲酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, 磷酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 磷酸二甲酯 has 1 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 磷酸二甲酯?
The CAS number of 磷酸二甲酯 is 813-78-5.
What is the molecular formula of 磷酸二甲酯?
The molecular formula of 磷酸二甲酯 is C2H7O4P.
What is the molecular weight of 磷酸二甲酯?
The molecular weight of 磷酸二甲酯 is 126.01 g/mol.
Where can I buy 磷酸二甲酯?
You can request a quote for 磷酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.