Ethyl 2-(methoxyimino)-4-oxopentanoate
TL;DR: Ethyl 2-(methoxyimino)-4-oxopentanoate (CAS 82874-96-2) is a chemical compound with molecular formula C8H13NO4 and molecular weight 187.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methoxyimino-4-oxopentanoate
Also Known As: 4-Methoxybenzamide, ETHYL 2-(METHOXYIMINO)-4-OXOPENTANOATE, ethyl 2-methoxyimino-4-oxopentanoate, Pentanoicacid, 2-(methoxyimino)-4-oxo-, ethyl ester, ethyl 2-(n-(methoxy)imino)-4-oxopentanoate
| Molecular Formula | C8H13NO4 |
|---|---|
| Molecular Weight | 187.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 187.08446 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 82874-96-2 |
|---|---|
| SMILES | CCOC(=O)C(=NOC)CC(=O)C |
| InChIKey | HDMJBDNQNKWAHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(methoxyimino)-4-oxopentanoate (CAS 82874-96-2), with molecular formula C8H13NO4 and molecular weight 187.08 g/mol. IUPAC: ethyl 2-methoxyimino-4-oxopentanoate.
Chemical Property Profile of Ethyl 2-(methoxyimino)-4-oxopentanoate
Property Insights of Ethyl 2-(methoxyimino)-4-oxopentanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(methoxyimino)-4-oxopentanoate. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(methoxyimino)-4-oxopentanoate. Following Lipinski's Rule of Five, Ethyl 2-(methoxyimino)-4-oxopentanoate 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 2-(methoxyimino)-4-oxopentanoate?
The CAS number of Ethyl 2-(methoxyimino)-4-oxopentanoate is 82874-96-2.
What is the molecular formula of Ethyl 2-(methoxyimino)-4-oxopentanoate?
The molecular formula of Ethyl 2-(methoxyimino)-4-oxopentanoate is C8H13NO4.
What is the molecular weight of Ethyl 2-(methoxyimino)-4-oxopentanoate?
The molecular weight of Ethyl 2-(methoxyimino)-4-oxopentanoate is 187.08 g/mol.
Where can I buy Ethyl 2-(methoxyimino)-4-oxopentanoate?
You can request a quote for Ethyl 2-(methoxyimino)-4-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(methoxyimino)-4-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(methoxyimino)-4-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.