5-Fluorodopa
TL;DR: 5-Fluorodopa (CAS 42877-15-6) is a chemical compound with molecular formula C9H11BrFNO4 and molecular weight 294.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid;hydrobromide
Also Known As: 5-fluorodopa, 5-Fluoro-dopa, 6-Fluoro DL-DOPA Hydrobromide Salt, 3,4-dihydroxy-5-fluorophenylalanine, 3,4-Dihydroxy-5-fluoro-DL-phenylalanine
| Molecular Formula | C9H11BrFNO4 |
|---|---|
| Molecular Weight | 294.99 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.98557 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 42877-15-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)F)CC(C(=O)O)N.Br |
| InChIKey | PTEGRBINLSGCNO-UHFFFAOYSA-N |
Product Overview
5-Fluorodopa (CAS 42877-15-6), with molecular formula C9H11BrFNO4 and molecular weight 294.99 g/mol. IUPAC: 2-amino-3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid;hydrobromide.
Chemical Property Profile of 5-Fluorodopa
Property Insights of 5-Fluorodopa
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluorodopa. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Fluorodopa. Following Lipinski's Rule of Five, 5-Fluorodopa has 5 hydrogen bond donor(s) and 6 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-Fluorodopa?
The CAS number of 5-Fluorodopa is 42877-15-6.
What is the molecular formula of 5-Fluorodopa?
The molecular formula of 5-Fluorodopa is C9H11BrFNO4.
What is the molecular weight of 5-Fluorodopa?
The molecular weight of 5-Fluorodopa is 294.99 g/mol.
Where can I buy 5-Fluorodopa?
You can request a quote for 5-Fluorodopa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluorodopa?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluorodopa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.