madopar
TL;DR: madopar (CAS 39254-94-9) is a chemical compound with molecular formula C19H26N4O9 and molecular weight 454.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
Also Known As: madopar, Modopar, Madopa, Levopar, Co-beneldopa
| Molecular Formula | C19H26N4O9 |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | -1.704 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.16998 |
| Heavy Atoms | 32 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 39254-94-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O.C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O |
| InChIKey | QFLMOYQNYBDXMT-ZCMDIHMWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
madopar (CAS 39254-94-9), with molecular formula C19H26N4O9 and molecular weight 454.17 g/mol. IUPAC: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide.
Chemical Property Profile of madopar
Property Insights of madopar
The XLogP value of -1.704 indicates that madopar is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 252.0 Ų indicates high polarity, suggesting madopar may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, madopar has 11 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of madopar?
The CAS number of madopar is 39254-94-9.
What is the molecular formula of madopar?
The molecular formula of madopar is C19H26N4O9.
What is the molecular weight of madopar?
The molecular weight of madopar is 454.17 g/mol.
Where can I buy madopar?
You can request a quote for madopar directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for madopar?
Yes, KEHONG BIO provides custom synthesis services for madopar and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.