Diethyl (acetylamino)(4-fluorobenzyl)propanedioate
TL;DR: Diethyl (acetylamino)(4-fluorobenzyl)propanedioate (CAS 380-71-2) is a chemical compound with molecular formula C16H20FNO5 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(4-fluorophenyl)methyl]propanedioate
Also Known As: Maybridge1_006232, BAS 00851309, diethyl (acetylamino)(4-fluorobenzyl)propanedioate, J2.491.210H, Diethyl 2-acetamido-2-(4-fluorobenzyl)malonate
| Molecular Formula | C16H20FNO5 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 1.3693 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.13254 |
| Heavy Atoms | 23 |
| Complexity | 552.33826 |
Chemical Identifiers
| CAS Number | 380-71-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)F)(C(=O)OCC)NC(=O)C |
Product Overview
Diethyl (acetylamino)(4-fluorobenzyl)propanedioate (CAS 380-71-2), with molecular formula C16H20FNO5 and molecular weight 325.13 g/mol. IUPAC: diethyl 2-acetamido-2-[(4-fluorophenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl (acetylamino)(4-fluorobenzyl)propanedioate
Property Insights of Diethyl (acetylamino)(4-fluorobenzyl)propanedioate
The XLogP value of 1.3693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (acetylamino)(4-fluorobenzyl)propanedioate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (acetylamino)(4-fluorobenzyl)propanedioate. Following Lipinski's Rule of Five, Diethyl (acetylamino)(4-fluorobenzyl)propanedioate 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 Diethyl (acetylamino)(4-fluorobenzyl)propanedioate?
The CAS number of Diethyl (acetylamino)(4-fluorobenzyl)propanedioate is 380-71-2.
What is the molecular formula of Diethyl (acetylamino)(4-fluorobenzyl)propanedioate?
The molecular formula of Diethyl (acetylamino)(4-fluorobenzyl)propanedioate is C16H20FNO5.
What is the molecular weight of Diethyl (acetylamino)(4-fluorobenzyl)propanedioate?
The molecular weight of Diethyl (acetylamino)(4-fluorobenzyl)propanedioate is 325.13 g/mol.
Where can I buy Diethyl (acetylamino)(4-fluorobenzyl)propanedioate?
You can request a quote for Diethyl (acetylamino)(4-fluorobenzyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (acetylamino)(4-fluorobenzyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (acetylamino)(4-fluorobenzyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.