L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester
TL;DR: L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester (CAS 98165-95-8) is a chemical compound with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[3-oxobutanoyl-(2,4,6-trimethyl-3-pyridinyl)amino]propanoate
Also Known As: L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester, Methyl (2S)-2-[3-oxobutanoyl-(2,4,6-trimethylpyridin-3-yl)amino]propanoate, methyl N-(3-oxobutanoyl)-N-(2,4,6-trimethylpyridin-3-yl)-L-alaninate, METHYL (2S)-2-[3-OXOBUTANOYL-(2,4,6-TRIMETHYL(PYRIDIN-3-YL))AMINO]PROPANOATE
| Molecular Formula | C16H22N2O4 |
|---|---|
| Molecular Weight | 306.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.15796 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 98165-95-8 |
|---|---|
| SMILES | CC1=CC(=NC(=C1N([C@@H](C)C(=O)OC)C(=O)CC(=O)C)C)C |
| InChIKey | PYMABYRJUHEVJU-ZDUSSCGKSA-N |
Product Overview
L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester (CAS 98165-95-8), with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol. IUPAC: methyl (2S)-2-[3-oxobutanoyl-(2,4,6-trimethyl-3-pyridinyl)amino]propanoate.
Chemical Property Profile of L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester
Property Insights of L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester. Following Lipinski's Rule of Five, L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester has 0 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 L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester?
The CAS number of L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester is 98165-95-8.
What is the molecular formula of L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester?
The molecular formula of L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester is C16H22N2O4.
What is the molecular weight of L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester?
The molecular weight of L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester is 306.16 g/mol.
Where can I buy L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester?
You can request a quote for L-Alanine, N-(1,3-dioxobutyl)-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-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-Alanine, N-(1,3-dioxobutyl)-N-(2,4,6-trimethyl-3-pyridinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.