Ethyl 5,5,5-trichloropentyl methylphosphonate
TL;DR: Ethyl 5,5,5-trichloropentyl methylphosphonate (CAS 49797-49-1) is a chemical compound with molecular formula C8H16Cl3O3P and molecular weight 295.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloro-5-[ethoxy(methyl)phosphoryl]oxypentane
Also Known As: ethyl 5,5,5-trichloropentyl methylphosphonate, Methylphosphonic acid ethyl 5,5,5-trichloropentyl ester, Phosphonic acid, methyl-, ethyl 5,5,5-trichloropentyl ester, 1,1,1-trichloro-5-[ethoxy(methyl)phosphoryl]oxypentane, 1,1,1-TRICHLORO-5-(ETHOXY-METHYL-PHOSPHORYL)OXY-PENTANE
| Molecular Formula | C8H16Cl3O3P |
|---|---|
| Molecular Weight | 295.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.99026 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 49797-49-1 |
|---|---|
| SMILES | CCOP(=O)(C)OCCCCC(Cl)(Cl)Cl |
| InChIKey | BMRYAQIUSSCJPX-UHFFFAOYSA-N |
Product Overview
Ethyl 5,5,5-trichloropentyl methylphosphonate (CAS 49797-49-1), with molecular formula C8H16Cl3O3P and molecular weight 295.99 g/mol. IUPAC: 1,1,1-trichloro-5-[ethoxy(methyl)phosphoryl]oxypentane.
Chemical Property Profile of Ethyl 5,5,5-trichloropentyl methylphosphonate
Property Insights of Ethyl 5,5,5-trichloropentyl methylphosphonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5,5,5-trichloropentyl methylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 5,5,5-trichloropentyl methylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5,5,5-trichloropentyl methylphosphonate has 0 hydrogen bond donor(s) and 3 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 Ethyl 5,5,5-trichloropentyl methylphosphonate?
The CAS number of Ethyl 5,5,5-trichloropentyl methylphosphonate is 49797-49-1.
What is the molecular formula of Ethyl 5,5,5-trichloropentyl methylphosphonate?
The molecular formula of Ethyl 5,5,5-trichloropentyl methylphosphonate is C8H16Cl3O3P.
What is the molecular weight of Ethyl 5,5,5-trichloropentyl methylphosphonate?
The molecular weight of Ethyl 5,5,5-trichloropentyl methylphosphonate is 295.99 g/mol.
Where can I buy Ethyl 5,5,5-trichloropentyl methylphosphonate?
You can request a quote for Ethyl 5,5,5-trichloropentyl methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5,5,5-trichloropentyl methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5,5,5-trichloropentyl methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.