Neotame
TL;DR: Neotame (CAS 165450-17-9) is a chemical compound with molecular formula C20H30N2O5 and molecular weight 378.21548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-3-(3,3-dimethylbutylamino)-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Neotame, D,D-Neotame, N-(3,3-Dimethylbutyl)-D-Asp-D-Phe-OMe, J1.264.441H, I06-1317
Technical Specifications
| Molecular Formula | C20H30N2O5 |
| Molecular Weight | 378.21548 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 378.21548 Da |
| Heavy Atoms | 27 |
| Complexity | 495.0 |
| SMILES | CC(C)(C)CCN[C@H](CC(=O)O)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)OC |
| InChIKey | HLIAVLHNDJUHFG-HZPDHXFCSA-N |
Chemical Property Profile of Neotame
Property Insights of Neotame
The XLogP value of -0.1 indicates that Neotame is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Neotame. Following Lipinski's Rule of Five, Neotame has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Neotame?
The CAS number of Neotame is 165450-17-9.
What is the molecular formula of Neotame?
The molecular formula of Neotame is C20H30N2O5.
What is the molecular weight of Neotame?
The molecular weight of Neotame is 378.21548 g/mol.
Where can I buy Neotame?
You can request a quote for Neotame directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neotame?
Yes, CoreyChem provides custom synthesis services for Neotame and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.