2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate
TL;DR: 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate (CAS 13171-22-7) is a chemical compound with molecular formula C8H15ClNO5P and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-chlorobut-2-enoyl]amino]ethyl dimethyl phosphate
Also Known As: Desethyl phosphamidon, Desethylphosphamidon, Ciba C-776, Trimetazidine dihydrochloride, ENT 27,358
| Molecular Formula | C8H15ClNO5P |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | 1.6627 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.03763 |
| Heavy Atoms | 16 |
| Complexity | 294.8038 |
Chemical Identifiers
| CAS Number | 13171-22-7 |
|---|---|
| SMILES | C/C(=C\C(=O)NCCOP(=O)(OC)OC)/Cl |
Product Overview
2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate (CAS 13171-22-7), with molecular formula C8H15ClNO5P and molecular weight 271.04 g/mol. IUPAC: 2-[[(E)-3-chlorobut-2-enoyl]amino]ethyl dimethyl phosphate.
Chemical Property Profile of 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate
Property Insights of 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate
The XLogP value of 1.6627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate. Following Lipinski's Rule of Five, 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate has 1 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 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate?
The CAS number of 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate is 13171-22-7.
What is the molecular formula of 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate?
The molecular formula of 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate is C8H15ClNO5P.
What is the molecular weight of 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate?
The molecular weight of 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate is 271.04 g/mol.
Where can I buy 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate?
You can request a quote for 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.