Levodopa butyl ester
TL;DR: Levodopa butyl ester (CAS 39638-52-3) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Also Known As: L-DOPA n-Butyl Ester, Levodopa butyl ester, L-DOPA butyl ester, Butyl 3-hydroxytyrosinate, butyl 3-hydroxy-L-tyrosinate
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 39638-52-3 |
|---|---|
| SMILES | CCCCOC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N |
| InChIKey | QDMOINLDXCZCEK-JTQLQIEISA-N |
Product Overview
Levodopa butyl ester (CAS 39638-52-3), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate.
Chemical Property Profile of Levodopa butyl ester
Property Insights of Levodopa butyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Levodopa butyl ester. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Levodopa butyl ester. Following Lipinski's Rule of Five, Levodopa butyl ester has 3 hydrogen bond donor(s) and 5 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 Levodopa butyl ester?
The CAS number of Levodopa butyl ester is 39638-52-3.
What is the molecular formula of Levodopa butyl ester?
The molecular formula of Levodopa butyl ester is C13H19NO4.
What is the molecular weight of Levodopa butyl ester?
The molecular weight of Levodopa butyl ester is 253.13 g/mol.
Where can I buy Levodopa butyl ester?
You can request a quote for Levodopa butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Levodopa butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Levodopa butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.