![(Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid structure](/static/products/6632/6632-86-6.webp)
(Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid
TL;DR: (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid (CAS 6632-86-6) is a chemical compound with molecular formula C14H14FNO6 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-2-[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid
Also Known As: KST-1A7267, (acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid, 2-acetamido-2-[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid, Acetamido[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid, Acetamino-[3-(4-fluor-phenyl)-3-oxo-propyl]-malonsaeure
| Molecular Formula | C14H14FNO6 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.0805 |
| Heavy Atoms | 22 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 6632-86-6 |
|---|---|
| SMILES | CC(=O)NC(CCC(=O)C1=CC=C(C=C1)F)(C(=O)O)C(=O)O |
| InChIKey | OISFDVAPZRYQLH-UHFFFAOYSA-N |
Product Overview
(Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid (CAS 6632-86-6), with molecular formula C14H14FNO6 and molecular weight 311.08 g/mol. IUPAC: 2-acetamido-2-[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid.
Chemical Property Profile of (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid
Property Insights of (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid. Following Lipinski's Rule of Five, (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid has 3 hydrogen bond donor(s) and 7 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 (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid?
The CAS number of (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid is 6632-86-6.
What is the molecular formula of (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid?
The molecular formula of (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid is C14H14FNO6.
What is the molecular weight of (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid?
The molecular weight of (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid is 311.08 g/mol.
Where can I buy (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid?
You can request a quote for (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (Acetylamino)[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.