Dimethyl ((4-hydroxyphenyl)methylene)malonate
TL;DR: Dimethyl ((4-hydroxyphenyl)methylene)malonate (CAS 51947-45-6) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-hydroxyphenyl)methylidene]propanedioate
Also Known As: Dimethyl ((4-hydroxyphenyl)methylene)malonate, dimethyl 2-(4-hydroxybenzylidene)malonate, dimethyl para-hydroxybenzalmalonate, dimethyl(4-hydroxybenzylidene)malonate, dimethyl 4-hydroxybenzylidenemalonate
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 51947-45-6 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=C(C=C1)O)C(=O)OC |
| InChIKey | SVNROXUQMHLOTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl ((4-hydroxyphenyl)methylene)malonate (CAS 51947-45-6), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: dimethyl 2-[(4-hydroxyphenyl)methylidene]propanedioate.
Chemical Property Profile of Dimethyl ((4-hydroxyphenyl)methylene)malonate
Property Insights of Dimethyl ((4-hydroxyphenyl)methylene)malonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl ((4-hydroxyphenyl)methylene)malonate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl ((4-hydroxyphenyl)methylene)malonate. Following Lipinski's Rule of Five, Dimethyl ((4-hydroxyphenyl)methylene)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 ((4-hydroxyphenyl)methylene)malonate?
The CAS number of Dimethyl ((4-hydroxyphenyl)methylene)malonate is 51947-45-6.
What is the molecular formula of Dimethyl ((4-hydroxyphenyl)methylene)malonate?
The molecular formula of Dimethyl ((4-hydroxyphenyl)methylene)malonate is C12H12O5.
What is the molecular weight of Dimethyl ((4-hydroxyphenyl)methylene)malonate?
The molecular weight of Dimethyl ((4-hydroxyphenyl)methylene)malonate is 236.07 g/mol.
Where can I buy Dimethyl ((4-hydroxyphenyl)methylene)malonate?
You can request a quote for Dimethyl ((4-hydroxyphenyl)methylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl ((4-hydroxyphenyl)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl ((4-hydroxyphenyl)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.