Methyldopate
TL;DR: Methyldopate (CAS 6014-30-8) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
Also Known As: METHYLDOPATE, Aldomet, Methyldopate HCL, alpha-Methyldopa ethyl ester, Methyl-L-dopa ethyl ester
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 6014-30-8 |
|---|---|
| SMILES | CCOC(=O)[C@](C)(CC1=CC(=C(C=C1)O)O)N |
| InChIKey | SVEBYYWCXTVYCR-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyldopate (CAS 6014-30-8), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate.
Chemical Property Profile of Methyldopate
Property Insights of Methyldopate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyldopate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyldopate. Following Lipinski's Rule of Five, Methyldopate 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 Methyldopate?
The CAS number of Methyldopate is 6014-30-8.
What is the molecular formula of Methyldopate?
The molecular formula of Methyldopate is C12H17NO4.
What is the molecular weight of Methyldopate?
The molecular weight of Methyldopate is 239.12 g/mol.
Where can I buy Methyldopate?
You can request a quote for Methyldopate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyldopate?
Yes, KEHONG BIO provides custom synthesis services for Methyldopate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.