3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid
TL;DR: 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid (CAS 122279-84-9) is a chemical compound with molecular formula C4H5Cl2O5P and molecular weight 233.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloro-2-(phosphonomethyl)prop-2-enoic acid
Also Known As: 3,3-DICHLORO-2-PHOSPHONOMETHYL-ACRYLIC ACID, 3,3-dichloro-2-(phosphonomethyl)prop-2-enoic acid, 3,3-Dichloro-2-(phosphonomethyl)acrylic acid, 2-Propenoic acid, 3,3-dichloro-2-(phosphonomethyl)-, 3,3-dichloro-2-dihydroxyphosphinoylmethylprop-2-enoate
| Molecular Formula | C4H5Cl2O5P |
|---|---|
| Molecular Weight | 233.93 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.92517 |
| Heavy Atoms | 12 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 122279-84-9 |
|---|---|
| SMILES | C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O |
| InChIKey | IBGSKYLUHGAGLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid (CAS 122279-84-9), with molecular formula C4H5Cl2O5P and molecular weight 233.93 g/mol. IUPAC: 3,3-dichloro-2-(phosphonomethyl)prop-2-enoic acid.
Chemical Property Profile of 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid
Property Insights of 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid
The XLogP value of -0.5 indicates that 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid 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 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid. Following Lipinski's Rule of Five, 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid 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 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid?
The CAS number of 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid is 122279-84-9.
What is the molecular formula of 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid?
The molecular formula of 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid is C4H5Cl2O5P.
What is the molecular weight of 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid?
The molecular weight of 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid is 233.93 g/mol.
Where can I buy 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid?
You can request a quote for 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.