Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate
TL;DR: Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate (CAS 77218-94-1) is a chemical compound with molecular formula C7H10ClNO4 and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-4-chloro-2-methoxyimino-3-oxobutanoate
Also Known As: EINECS 264-911-7, Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate, Ethyl 4-chloro-2-(methoxyimino)-3-oxobutanoate, ethyl (2E)-4-chloro-2-methoxyimino-3-oxobutanoate, ethyl (E)-4-chloro-2-(methoxyimino)-3-oxobutanoate
| Molecular Formula | C7H10ClNO4 |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 0.3598 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.02983 |
| Heavy Atoms | 13 |
| Complexity | 226.53242 |
Chemical Identifiers
| CAS Number | 77218-94-1 |
|---|---|
| SMILES | CCOC(=O)/C(=N/OC)/C(=O)CCl |
Product Overview
Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate (CAS 77218-94-1), with molecular formula C7H10ClNO4 and molecular weight 207.03 g/mol. IUPAC: ethyl (2E)-4-chloro-2-methoxyimino-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate
Property Insights of Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate
The XLogP value of 0.3598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate. Following Lipinski's Rule of Five, Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate 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 Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate?
The CAS number of Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate is 77218-94-1.
What is the molecular formula of Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate?
The molecular formula of Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate is C7H10ClNO4.
What is the molecular weight of Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate?
The molecular weight of Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate is 207.03 g/mol.
Where can I buy Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate?
You can request a quote for Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.