Diethyl 2-(2,4-difluorophenyl)malonate
TL;DR: Diethyl 2-(2,4-difluorophenyl)malonate (CAS 137186-30-2) is a chemical compound with molecular formula C13H14F2O4 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2,4-difluorophenyl)propanedioate
Also Known As: Diethyl 2-(2,4-difluorophenyl)malonate, Diethyl 2,4-difluorophenyl malonate, 4-Benzylamino-1-butanol, Diethyl (2,4-difluorophenyl)propanedioate, Diethyl 2-(2,4-difluorophenyl)propanedioate
| Molecular Formula | C13H14F2O4 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 2.1746 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.08603 |
| Heavy Atoms | 19 |
| Complexity | 455.71106 |
Chemical Identifiers
| CAS Number | 137186-30-2 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(C=C(C=C1)F)F)C(=O)OCC |
Product Overview
Diethyl 2-(2,4-difluorophenyl)malonate (CAS 137186-30-2), with molecular formula C13H14F2O4 and molecular weight 272.09 g/mol. IUPAC: diethyl 2-(2,4-difluorophenyl)propanedioate.
Chemical Property Profile of Diethyl 2-(2,4-difluorophenyl)malonate
Property Insights of Diethyl 2-(2,4-difluorophenyl)malonate
The XLogP value of 2.1746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(2,4-difluorophenyl)malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-(2,4-difluorophenyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-(2,4-difluorophenyl)malonate has 0 hydrogen bond donor(s) and 4 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-(2,4-difluorophenyl)malonate?
The CAS number of Diethyl 2-(2,4-difluorophenyl)malonate is 137186-30-2.
What is the molecular formula of Diethyl 2-(2,4-difluorophenyl)malonate?
The molecular formula of Diethyl 2-(2,4-difluorophenyl)malonate is C13H14F2O4.
What is the molecular weight of Diethyl 2-(2,4-difluorophenyl)malonate?
The molecular weight of Diethyl 2-(2,4-difluorophenyl)malonate is 272.09 g/mol.
Where can I buy Diethyl 2-(2,4-difluorophenyl)malonate?
You can request a quote for Diethyl 2-(2,4-difluorophenyl)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-(2,4-difluorophenyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(2,4-difluorophenyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.