Diethyl 2-((4-hydroxyanilino)methylidene)malonate
TL;DR: Diethyl 2-((4-hydroxyanilino)methylidene)malonate (CAS 111185-74-1) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-hydroxyanilino)methylidene]propanedioate
Also Known As: DIETHYL 2-((4-HYDROXYANILINO)METHYLENE)MALONATE, BIM-0031648.P001, diethyl 2-[(4-hydroxyanilino)methylidene]propanedioate, Diethyl 2-((4-hydroxyanilino)methylidene)malonate, Diethyl 2-[(4-hydroxyanilino)methylidene]malonate
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 1.8142 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 472.79065 |
Chemical Identifiers
| CAS Number | 111185-74-1 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)O)C(=O)OCC |
Product Overview
Diethyl 2-((4-hydroxyanilino)methylidene)malonate (CAS 111185-74-1), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: diethyl 2-[(4-hydroxyanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-((4-hydroxyanilino)methylidene)malonate
Property Insights of Diethyl 2-((4-hydroxyanilino)methylidene)malonate
The XLogP value of 1.8142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-((4-hydroxyanilino)methylidene)malonate. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-((4-hydroxyanilino)methylidene)malonate. Following Lipinski's Rule of Five, Diethyl 2-((4-hydroxyanilino)methylidene)malonate has 2 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-((4-hydroxyanilino)methylidene)malonate?
The CAS number of Diethyl 2-((4-hydroxyanilino)methylidene)malonate is 111185-74-1.
What is the molecular formula of Diethyl 2-((4-hydroxyanilino)methylidene)malonate?
The molecular formula of Diethyl 2-((4-hydroxyanilino)methylidene)malonate is C14H17NO5.
What is the molecular weight of Diethyl 2-((4-hydroxyanilino)methylidene)malonate?
The molecular weight of Diethyl 2-((4-hydroxyanilino)methylidene)malonate is 279.11 g/mol.
Where can I buy Diethyl 2-((4-hydroxyanilino)methylidene)malonate?
You can request a quote for Diethyl 2-((4-hydroxyanilino)methylidene)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-((4-hydroxyanilino)methylidene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-((4-hydroxyanilino)methylidene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.