磷酸单甲酯
TL;DR: 磷酸单甲酯 (CAS 812-00-0) is a chemical compound with molecular formula CH5O4P and molecular weight 111.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸单甲酯
methyl dihydrogen phosphate
Also Known As: Methyl dihydrogen phosphate, Methylphosphate, Monomethyl phosphate, O-Methyl phosphate, METHYL PHOSPHATE
| Molecular Formula | CH5O4P |
|---|---|
| Molecular Weight | 111.99 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.992546 |
| Heavy Atoms | 6 |
| Complexity | 71.0 |
| Density | 1.42 at 25.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | greater than 104.4 °C |
Chemical Identifiers
| CAS Number | 812-00-0 |
|---|---|
| SMILES | COP(=O)(O)O |
| InChIKey | CAAULPUQFIIOTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸单甲酯 (CAS 812-00-0), with molecular formula CH5O4P and molecular weight 111.99 g/mol. IUPAC: methyl dihydrogen phosphate.
Chemical Property Profile of 磷酸单甲酯
Property Insights of 磷酸单甲酯
The XLogP value of -1.6 indicates that 磷酸单甲酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 磷酸单甲酯. Following Lipinski's Rule of Five, 磷酸单甲酯 has 2 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 磷酸单甲酯?
The CAS number of 磷酸单甲酯 is 812-00-0.
What is the molecular formula of 磷酸单甲酯?
The molecular formula of 磷酸单甲酯 is CH5O4P.
What is the molecular weight of 磷酸单甲酯?
The molecular weight of 磷酸单甲酯 is 111.99 g/mol.
Where can I buy 磷酸单甲酯?
You can request a quote for 磷酸单甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸单甲酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸单甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.