(R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate
TL;DR: (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate (CAS 33043-37-7) is a chemical compound with molecular formula C13H17NO5 and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-(3,4-dimethoxyphenyl)propanoic acid
Also Known As: Levodopa Impurity 3, Levodopa Impurity 17, 2-acetamido-3-(3,4-dimethoxyphenyl)propanoic Acid, N-acetyl-3,4-dimethoxyphenylalanine, (R,S)-N-Acetyl-3,4-dimethoxy phenylalanine
| Molecular Formula | C13H17NO5 |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 0.8356 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.1107 |
| Heavy Atoms | 19 |
| Complexity | 472.1014 |
Chemical Identifiers
| CAS Number | 33043-37-7 |
|---|---|
| SMILES | CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)O |
Product Overview
(R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate (CAS 33043-37-7), with molecular formula C13H17NO5 and molecular weight 267.11 g/mol. IUPAC: 2-acetamido-3-(3,4-dimethoxyphenyl)propanoic acid.
Chemical Property Profile of (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate
Property Insights of (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate
The XLogP value of 0.8356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate. Following Lipinski's Rule of Five, (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate has 2 hydrogen bond donor(s) and 4 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 (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate?
The CAS number of (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate is 33043-37-7.
What is the molecular formula of (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate?
The molecular formula of (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate is C13H17NO5.
What is the molecular weight of (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate?
The molecular weight of (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate is 267.11 g/mol.
Where can I buy (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate?
You can request a quote for (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate?
Yes, KEHONG BIO provides custom synthesis services for (R,S)-N-Acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.