Dimethyl (hydroxymethylene)malonate
TL;DR: Dimethyl (hydroxymethylene)malonate (CAS 27931-91-5) is a chemical compound with molecular formula C6H8O5 and molecular weight 160.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(hydroxymethylidene)propanedioate
Also Known As: Dimethyl (hydroxymethylene)malonate, dimethyl 2-(hydroxymethylidene)propanedioate, dimethyl(hydroxymethylene)malonate, Dimethyl hydroxymethylene malonate, dimethyl 2-(hydroxymethylene)malonate
| Molecular Formula | C6H8O5 |
|---|---|
| Molecular Weight | 160.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.03717 |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 27931-91-5 |
|---|---|
| SMILES | COC(=O)C(=CO)C(=O)OC |
| InChIKey | JMHZOSZGGDSKNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl (hydroxymethylene)malonate (CAS 27931-91-5), with molecular formula C6H8O5 and molecular weight 160.04 g/mol. IUPAC: dimethyl 2-(hydroxymethylidene)propanedioate.
Chemical Property Profile of Dimethyl (hydroxymethylene)malonate
Property Insights of Dimethyl (hydroxymethylene)malonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (hydroxymethylene)malonate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (hydroxymethylene)malonate. Following Lipinski's Rule of Five, Dimethyl (hydroxymethylene)malonate has 1 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 Dimethyl (hydroxymethylene)malonate?
The CAS number of Dimethyl (hydroxymethylene)malonate is 27931-91-5.
What is the molecular formula of Dimethyl (hydroxymethylene)malonate?
The molecular formula of Dimethyl (hydroxymethylene)malonate is C6H8O5.
What is the molecular weight of Dimethyl (hydroxymethylene)malonate?
The molecular weight of Dimethyl (hydroxymethylene)malonate is 160.04 g/mol.
Where can I buy Dimethyl (hydroxymethylene)malonate?
You can request a quote for Dimethyl (hydroxymethylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (hydroxymethylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (hydroxymethylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.