N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine
TL;DR: N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine (CAS 1047682-49-4) is a chemical compound with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-(2-hydroxy-5-methylanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid
Also Known As: N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine, F2721-0724, (S)-2-(allylamino)-3-(N-2-hydroxy-5-tolylcarbamoyl)propionic acid, (2R)-3-[(2-hydroxy-5-methyl-phenyl)carbamoyl]-2-(prop-2-enylamino)propanoic Acid, (2S)-4-(2-hydroxy-5-methylanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid
| Molecular Formula | C14H18N2O4 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 1.25802 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.12665 |
| Heavy Atoms | 20 |
| Complexity | 513.8954 |
Chemical Identifiers
| CAS Number | 1047682-49-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)NC(=O)C[C@@H](C(=O)O)NCC=C |
Product Overview
N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine (CAS 1047682-49-4), with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol. IUPAC: (2S)-4-(2-hydroxy-5-methylanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid.
Chemical Property Profile of N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine
Property Insights of N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine
The XLogP value of 1.25802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine. Following Lipinski's Rule of Five, N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine has 4 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 N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine?
The CAS number of N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine is 1047682-49-4.
What is the molecular formula of N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine?
The molecular formula of N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine is C14H18N2O4.
What is the molecular weight of N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine?
The molecular weight of N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine is 278.13 g/mol.
Where can I buy N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine?
You can request a quote for N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N2-Allyl-N4-(2-hydroxy-5-methylphenyl)-L-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.