5-氟吲哚-2-甲酸
TL;DR: 5-氟吲哚-2-甲酸 (CAS 399-76-8) is a chemical compound with molecular formula C9H6FNO2 and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氟吲哚-2-甲酸
5-fluoro-1H-indole-2-carboxylic acid
Also Known As: 5-Fluoroindole-2-carboxylic acid, 5-Fluoro-1H-indole-2-carboxylic acid, 2-Carboxy-5-fluoroindole, Spectrum2_001469, Spectrum3_001043
| Molecular Formula | C9H6FNO2 |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.03825 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 399-76-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C=C(N2)C(=O)O |
| InChIKey | WTXBRZCVLDTWLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氟吲哚-2-甲酸 (CAS 399-76-8), with molecular formula C9H6FNO2 and molecular weight 179.04 g/mol. IUPAC: 5-fluoro-1H-indole-2-carboxylic acid.
Chemical Property Profile of 5-氟吲哚-2-甲酸
Property Insights of 5-氟吲哚-2-甲酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氟吲哚-2-甲酸. With a topological polar surface area (TPSA) of 53.1 Ų, 5-氟吲哚-2-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氟吲哚-2-甲酸 has 2 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 5-氟吲哚-2-甲酸?
The CAS number of 5-氟吲哚-2-甲酸 is 399-76-8.
What is the molecular formula of 5-氟吲哚-2-甲酸?
The molecular formula of 5-氟吲哚-2-甲酸 is C9H6FNO2.
What is the molecular weight of 5-氟吲哚-2-甲酸?
The molecular weight of 5-氟吲哚-2-甲酸 is 179.04 g/mol.
Where can I buy 5-氟吲哚-2-甲酸?
You can request a quote for 5-氟吲哚-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氟吲哚-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氟吲哚-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.