膦酰基乙酸
TL;DR: 膦酰基乙酸 (CAS 4408-78-0) is a chemical compound with molecular formula C2H5O5P and molecular weight 139.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
膦酰基乙酸
2-phosphonoacetic acid
Also Known As: Phosphonoacetic acid, Fosfonet, 2-phosphonoacetic acid, phosphonoacetate, Fosfonet sodium
| Molecular Formula | C2H5O5P |
|---|---|
| Molecular Weight | 139.99 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.98746 |
| Heavy Atoms | 8 |
| Complexity | 133.0 |
| Melting Point | 143-146 °C |
| Solubility | 392000 |
| Vapor Pressure | 0.00000067 [mmHg] |
Chemical Identifiers
| CAS Number | 4408-78-0 |
|---|---|
| SMILES | C(C(=O)O)P(=O)(O)O |
| InChIKey | XUYJLQHKOGNDPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
膦酰基乙酸 (CAS 4408-78-0), with molecular formula C2H5O5P and molecular weight 139.99 g/mol. IUPAC: 2-phosphonoacetic acid.
Chemical Property Profile of 膦酰基乙酸
Property Insights of 膦酰基乙酸
The XLogP value of -2.0 indicates that 膦酰基乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 膦酰基乙酸. Following Lipinski's Rule of Five, 膦酰基乙酸 has 3 hydrogen bond donor(s) and 5 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 膦酰基乙酸?
The CAS number of 膦酰基乙酸 is 4408-78-0.
What is the molecular formula of 膦酰基乙酸?
The molecular formula of 膦酰基乙酸 is C2H5O5P.
What is the molecular weight of 膦酰基乙酸?
The molecular weight of 膦酰基乙酸 is 139.99 g/mol.
Where can I buy 膦酰基乙酸?
You can request a quote for 膦酰基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 膦酰基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 膦酰基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.