3-(4-氟苯基)戊二酸
TL;DR: 3-(4-氟苯基)戊二酸 (CAS 3449-63-6) is a chemical compound with molecular formula C11H11FO4 and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-氟苯基)戊二酸
3-(4-fluorophenyl)pentanedioic acid
Also Known As: 3-(4-fluorophenyl)pentanedioic acid, 3-(4-Fluorophenyl)glutaric acid, 3-(p-fluorophenyl)glutaric acid, 3-(4-fluorophenyl) glutaric acid, 3-(4-fluorophenyl)pentanedioicacid
| Molecular Formula | C11H11FO4 |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.06413 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 3449-63-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)F |
| InChIKey | CNZZQTFKXGQNLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-氟苯基)戊二酸 (CAS 3449-63-6), with molecular formula C11H11FO4 and molecular weight 226.06 g/mol. IUPAC: 3-(4-fluorophenyl)pentanedioic acid.
Chemical Property Profile of 3-(4-氟苯基)戊二酸
Property Insights of 3-(4-氟苯基)戊二酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-氟苯基)戊二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-氟苯基)戊二酸. Following Lipinski's Rule of Five, 3-(4-氟苯基)戊二酸 has 2 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 3-(4-氟苯基)戊二酸?
The CAS number of 3-(4-氟苯基)戊二酸 is 3449-63-6.
What is the molecular formula of 3-(4-氟苯基)戊二酸?
The molecular formula of 3-(4-氟苯基)戊二酸 is C11H11FO4.
What is the molecular weight of 3-(4-氟苯基)戊二酸?
The molecular weight of 3-(4-氟苯基)戊二酸 is 226.06 g/mol.
Where can I buy 3-(4-氟苯基)戊二酸?
You can request a quote for 3-(4-氟苯基)戊二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-氟苯基)戊二酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-氟苯基)戊二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.