Triethyl 2-chloro-2-phosphonoacetate
TL;DR: Triethyl 2-chloro-2-phosphonoacetate (CAS 7071-12-7) is a chemical compound with molecular formula C8H16ClO5P and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-2-diethoxyphosphorylacetate
Also Known As: Triethyl 2-chloro-2-phosphonoacetate, Ethyl 2-chloro-2-(diethoxyphosphoryl)acetate, ethyl 2-chloro-2-diethoxyphosphorylacetate, Triethyl 2-Chloro-2-phosphoacetate, Triethyl2-chloro-2-phosphonoacetate
| Molecular Formula | C8H16ClO5P |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 2.3805 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.0424 |
| Heavy Atoms | 15 |
| Complexity | 235.18652 |
Chemical Identifiers
| CAS Number | 7071-12-7 |
|---|---|
| SMILES | CCOC(=O)C(P(=O)(OCC)OCC)Cl |
Product Overview
Triethyl 2-chloro-2-phosphonoacetate (CAS 7071-12-7), with molecular formula C8H16ClO5P and molecular weight 258.04 g/mol. IUPAC: ethyl 2-chloro-2-diethoxyphosphorylacetate.
Chemical Property Profile of Triethyl 2-chloro-2-phosphonoacetate
Property Insights of Triethyl 2-chloro-2-phosphonoacetate
The XLogP value of 2.3805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 2-chloro-2-phosphonoacetate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 2-chloro-2-phosphonoacetate. Following Lipinski's Rule of Five, Triethyl 2-chloro-2-phosphonoacetate has 0 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 Triethyl 2-chloro-2-phosphonoacetate?
The CAS number of Triethyl 2-chloro-2-phosphonoacetate is 7071-12-7.
What is the molecular formula of Triethyl 2-chloro-2-phosphonoacetate?
The molecular formula of Triethyl 2-chloro-2-phosphonoacetate is C8H16ClO5P.
What is the molecular weight of Triethyl 2-chloro-2-phosphonoacetate?
The molecular weight of Triethyl 2-chloro-2-phosphonoacetate is 258.04 g/mol.
Where can I buy Triethyl 2-chloro-2-phosphonoacetate?
You can request a quote for Triethyl 2-chloro-2-phosphonoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 2-chloro-2-phosphonoacetate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 2-chloro-2-phosphonoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.