Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate
TL;DR: Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate (CAS 7500-71-2) is a chemical compound with molecular formula C8H12Cl3NO4 and molecular weight 290.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate
Also Known As: ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate, Acetoacetic acid, 2-(1-hydroxyamino-2,2,2-trichloroethyl)-, ethyl, ACETOACETIC ACID, 2-(1-HYDROXYAMINO-2,2,2-TRICHLOROETHYL)-, ETHYL ESTER, Acetoacetic acid,2,2-trichloroethyl)-, ethyl ester, Acetoacetic acid, 2-(2,2,2-trichloro-1-hydroxyaminoethyl)-, ethyl ester
| Molecular Formula | C8H12Cl3NO4 |
|---|---|
| Molecular Weight | 290.98 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.9832 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 7500-71-2 |
|---|---|
| SMILES | CCOC(=O)C(C(C(Cl)(Cl)Cl)NO)C(=O)C |
| InChIKey | CRLPWIDAZYJYNA-UHFFFAOYSA-N |
Product Overview
Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate (CAS 7500-71-2), with molecular formula C8H12Cl3NO4 and molecular weight 290.98 g/mol. IUPAC: ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate.
Chemical Property Profile of Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate
Property Insights of Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate. Following Lipinski's Rule of Five, Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate has 2 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 Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate?
The CAS number of Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate is 7500-71-2.
What is the molecular formula of Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate?
The molecular formula of Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate is C8H12Cl3NO4.
What is the molecular weight of Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate?
The molecular weight of Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate is 290.98 g/mol.
Where can I buy Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate?
You can request a quote for Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-4,4,4-trichloro-3-(hydroxyamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.