Diethyl 2-(methoxyimino)malonate
TL;DR: Diethyl 2-(methoxyimino)malonate (CAS 62619-46-9) is a chemical compound with molecular formula C8H13NO5 and molecular weight 203.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methoxyiminopropanedioate
Also Known As: Diethyl 2-(methoxyimino)malonate, diethyl 2-methoxyiminopropanedioate, Diethyl methoxyiminomalonate, diethyl mesoxalate O-methyloxime, Diethyl (methoxyimino)propanedioate
| Molecular Formula | C8H13NO5 |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 203.07938 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 62619-46-9 |
|---|---|
| SMILES | CCOC(=O)C(=NOC)C(=O)OCC |
| InChIKey | XYFCBAVIWSGQGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(methoxyimino)malonate (CAS 62619-46-9), with molecular formula C8H13NO5 and molecular weight 203.08 g/mol. IUPAC: diethyl 2-methoxyiminopropanedioate.
Chemical Property Profile of Diethyl 2-(methoxyimino)malonate
Property Insights of Diethyl 2-(methoxyimino)malonate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(methoxyimino)malonate. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(methoxyimino)malonate. Following Lipinski's Rule of Five, Diethyl 2-(methoxyimino)malonate has 0 hydrogen bond donor(s) and 6 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 Diethyl 2-(methoxyimino)malonate?
The CAS number of Diethyl 2-(methoxyimino)malonate is 62619-46-9.
What is the molecular formula of Diethyl 2-(methoxyimino)malonate?
The molecular formula of Diethyl 2-(methoxyimino)malonate is C8H13NO5.
What is the molecular weight of Diethyl 2-(methoxyimino)malonate?
The molecular weight of Diethyl 2-(methoxyimino)malonate is 203.08 g/mol.
Where can I buy Diethyl 2-(methoxyimino)malonate?
You can request a quote for Diethyl 2-(methoxyimino)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(methoxyimino)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(methoxyimino)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.