Alpha-Difluoromethyl-DOPA
TL;DR: Alpha-Difluoromethyl-DOPA (CAS 7249-31-2) is a chemical compound with molecular formula C10H11F2NO4 and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]-3,3-difluoropropanoic acid
Also Known As: alpha-Difluoromethyl-dopa, Dfm-dopa, DFMD, DIFLUOROMETHYLDOPA, Mdl 71,801
| Molecular Formula | C10H11F2NO4 |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.06561 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 7249-31-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C[C@@](C(F)F)(C(=O)O)N)O)O |
| InChIKey | XZVHHLNLLVICFA-SNVBAGLBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-Difluoromethyl-DOPA (CAS 7249-31-2), with molecular formula C10H11F2NO4 and molecular weight 247.07 g/mol. IUPAC: (2S)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]-3,3-difluoropropanoic acid.
Chemical Property Profile of Alpha-Difluoromethyl-DOPA
Property Insights of Alpha-Difluoromethyl-DOPA
The XLogP value of -1.4 indicates that Alpha-Difluoromethyl-DOPA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-Difluoromethyl-DOPA. Following Lipinski's Rule of Five, Alpha-Difluoromethyl-DOPA has 4 hydrogen bond donor(s) and 7 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 Alpha-Difluoromethyl-DOPA?
The CAS number of Alpha-Difluoromethyl-DOPA is 7249-31-2.
What is the molecular formula of Alpha-Difluoromethyl-DOPA?
The molecular formula of Alpha-Difluoromethyl-DOPA is C10H11F2NO4.
What is the molecular weight of Alpha-Difluoromethyl-DOPA?
The molecular weight of Alpha-Difluoromethyl-DOPA is 247.07 g/mol.
Where can I buy Alpha-Difluoromethyl-DOPA?
You can request a quote for Alpha-Difluoromethyl-DOPA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-Difluoromethyl-DOPA?
Yes, KEHONG BIO provides custom synthesis services for Alpha-Difluoromethyl-DOPA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.