Diethyl (hydroxyimino)malonate
TL;DR: Diethyl (hydroxyimino)malonate (CAS 42937-74-6) is a chemical compound with molecular formula C7H11NO5 and molecular weight 189.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-hydroxyiminopropanedioate
Also Known As: Diethyl Isonitrosomalonate, DIETHYL (HYDROXYIMINO)MALONATE, diethyl 2-hydroxyiminomalonate, DiethylIsonitrosomalonate, Diethyl 2-(hydroxyimino)malonate
| Molecular Formula | C7H11NO5 |
|---|---|
| Molecular Weight | 189.06 g/mol |
| LogP | -0.0572 |
| Topological Polar Surface Area | 85.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.06372 |
| Heavy Atoms | 13 |
| Complexity | 202.92279 |
Chemical Identifiers
| CAS Number | 42937-74-6 |
|---|---|
| SMILES | CCOC(=O)C(=NO)C(=O)OCC |
Product Overview
Diethyl (hydroxyimino)malonate (CAS 42937-74-6), with molecular formula C7H11NO5 and molecular weight 189.06 g/mol. IUPAC: diethyl 2-hydroxyiminopropanedioate.
Chemical Property Profile of Diethyl (hydroxyimino)malonate
Property Insights of Diethyl (hydroxyimino)malonate
The XLogP value of -0.0572 indicates that Diethyl (hydroxyimino)malonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (hydroxyimino)malonate. Following Lipinski's Rule of Five, Diethyl (hydroxyimino)malonate has 1 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 (hydroxyimino)malonate?
The CAS number of Diethyl (hydroxyimino)malonate is 42937-74-6.
What is the molecular formula of Diethyl (hydroxyimino)malonate?
The molecular formula of Diethyl (hydroxyimino)malonate is C7H11NO5.
What is the molecular weight of Diethyl (hydroxyimino)malonate?
The molecular weight of Diethyl (hydroxyimino)malonate is 189.06 g/mol.
Where can I buy Diethyl (hydroxyimino)malonate?
You can request a quote for Diethyl (hydroxyimino)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (hydroxyimino)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (hydroxyimino)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.