3-氟苯乙酸
TL;DR: 3-氟苯乙酸 (CAS 331-25-9) is a chemical compound with molecular formula C8H7FO2 and molecular weight 154.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氟苯乙酸
2-(3-fluorophenyl)acetic acid
Also Known As: 3-Fluorophenylacetic acid, 2-(3-fluorophenyl)acetic acid, m-Fluorophenylacetic acid, Benzeneacetic acid, 3-fluoro-, (3-fluorophenyl)acetic acid
| Molecular Formula | C8H7FO2 |
|---|---|
| Molecular Weight | 154.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.04301 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 331-25-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CC(=O)O |
| InChIKey | YEAUYVGUXSZCFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氟苯乙酸 (CAS 331-25-9), with molecular formula C8H7FO2 and molecular weight 154.04 g/mol. IUPAC: 2-(3-fluorophenyl)acetic acid.
Chemical Property Profile of 3-氟苯乙酸
Property Insights of 3-氟苯乙酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氟苯乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-氟苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氟苯乙酸 has 1 hydrogen bond donor(s) and 3 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-氟苯乙酸?
The CAS number of 3-氟苯乙酸 is 331-25-9.
What is the molecular formula of 3-氟苯乙酸?
The molecular formula of 3-氟苯乙酸 is C8H7FO2.
What is the molecular weight of 3-氟苯乙酸?
The molecular weight of 3-氟苯乙酸 is 154.04 g/mol.
Where can I buy 3-氟苯乙酸?
You can request a quote for 3-氟苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氟苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氟苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.