L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester
TL;DR: L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester (CAS 98166-04-2) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(2,4,6-trimethyl-3-pyridinyl)amino]propanoate
Also Known As: L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester, Methyl (2S)-2-[(2,4,6-trimethylpyridin-3-yl)amino]propanoate, Methyl N-(2,4,6-trimethylpyridin-3-yl)-L-alaninate, Methyl (2S)-2-((2,4,6-trimethylpyridin-3-yl)amino)propanoate
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 98166-04-2 |
|---|---|
| SMILES | CC1=CC(=NC(=C1N[C@@H](C)C(=O)OC)C)C |
| InChIKey | RRXHAAASGOACAO-JTQLQIEISA-N |
Product Overview
L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester (CAS 98166-04-2), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: methyl (2S)-2-[(2,4,6-trimethyl-3-pyridinyl)amino]propanoate.
Chemical Property Profile of L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester
Property Insights of L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester. With a topological polar surface area (TPSA) of 51.2 Ų, L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester has 1 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 L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester?
The CAS number of L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester is 98166-04-2.
What is the molecular formula of L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester?
The molecular formula of L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester is C12H18N2O2.
What is the molecular weight of L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester?
The molecular weight of L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester is 222.14 g/mol.
Where can I buy L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester?
You can request a quote for L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-Alanine, N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.