4-(3-氟-4-羟苯基)丁酸
TL;DR: 4-(3-氟-4-羟苯基)丁酸 (CAS 588-25-0) is a chemical compound with molecular formula C10H11FO3 and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-氟-4-羟苯基)丁酸
4-(3-fluoro-4-hydroxyphenyl)butanoic acid
Also Known As: 4-(3-fluoro-4-hydroxyphenyl)butanoic acid, 4-(3-Fluoro-4-hydroxyphenyl)butyric acid, benzenebutanoic acid, 3-fluoro-4-hydroxy-, 3-Fluoro-4-hydroxybenzenebutanoic acid, 4-(3-fluoro-4-hydroxyphenyl)butanoicacid
| Molecular Formula | C10H11FO3 |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.06923 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 588-25-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCCC(=O)O)F)O |
| InChIKey | UKBRLKIGCWRGBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-氟-4-羟苯基)丁酸 (CAS 588-25-0), with molecular formula C10H11FO3 and molecular weight 198.07 g/mol. IUPAC: 4-(3-fluoro-4-hydroxyphenyl)butanoic acid.
Chemical Property Profile of 4-(3-氟-4-羟苯基)丁酸
Property Insights of 4-(3-氟-4-羟苯基)丁酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-氟-4-羟苯基)丁酸. With a topological polar surface area (TPSA) of 57.5 Ų, 4-(3-氟-4-羟苯基)丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-氟-4-羟苯基)丁酸 has 2 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 4-(3-氟-4-羟苯基)丁酸?
The CAS number of 4-(3-氟-4-羟苯基)丁酸 is 588-25-0.
What is the molecular formula of 4-(3-氟-4-羟苯基)丁酸?
The molecular formula of 4-(3-氟-4-羟苯基)丁酸 is C10H11FO3.
What is the molecular weight of 4-(3-氟-4-羟苯基)丁酸?
The molecular weight of 4-(3-氟-4-羟苯基)丁酸 is 198.07 g/mol.
Where can I buy 4-(3-氟-4-羟苯基)丁酸?
You can request a quote for 4-(3-氟-4-羟苯基)丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-氟-4-羟苯基)丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-氟-4-羟苯基)丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.