Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate
TL;DR: Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate (CAS 867-73-2) is a chemical compound with molecular formula C5H10Cl3O4P and molecular weight 269.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloro-2-dimethoxyphosphoryl-2-methoxyethane
Also Known As: NIOSH/SZ9061000, Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate, 1,1,1-trichloro-2-dimethoxyphosphoryl-2-methoxyethane, dimethyl(2,2,2-trichloro-1-methoxyethyl)phosphonate, O,O-Dimethyl-2,2,2-trichlor-1-methoxy-ethylphosphonat
| Molecular Formula | C5H10Cl3O4P |
|---|---|
| Molecular Weight | 269.94 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.93823 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 867-73-2 |
|---|---|
| SMILES | COC(C(Cl)(Cl)Cl)P(=O)(OC)OC |
| InChIKey | JRIDIMGTKIMVDT-UHFFFAOYSA-N |
Product Overview
Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate (CAS 867-73-2), with molecular formula C5H10Cl3O4P and molecular weight 269.94 g/mol. IUPAC: 1,1,1-trichloro-2-dimethoxyphosphoryl-2-methoxyethane.
Chemical Property Profile of Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate
Property Insights of Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate. With a topological polar surface area (TPSA) of 44.8 Ų, Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate has 0 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 Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate?
The CAS number of Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate is 867-73-2.
What is the molecular formula of Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate?
The molecular formula of Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate is C5H10Cl3O4P.
What is the molecular weight of Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate?
The molecular weight of Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate is 269.94 g/mol.
Where can I buy Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate?
You can request a quote for Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (2,2,2-trichloro-1-methoxyethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.