(S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate
TL;DR: (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate (CAS 1173672-26-8) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-(2-methylpropylcarbamoylamino)-3-phenylpropanoate
Also Known As: starbld0024797, (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate, Methyl (isobutylcarbamoyl)-L-phenylalaninate, METHYL (2S)-2-{[(2-METHYLPROPYL)CARBAMOYL]AMINO}-3-PHENYLPROPANOATE, methyl (2S)-2-(2-methylpropylcarbamoylamino)-3-phenylpropanoate
Technical Specifications
| Molecular Formula | C15H22N2O3 |
| Molecular Weight | 278.16306 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.16306 Da |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
| SMILES | CC(C)CNC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC |
| InChIKey | YGFJLQSNAOIREY-ZDUSSCGKSA-N |
Chemical Property Profile of (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate
Property Insights of (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate?
The CAS number of (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate is 1173672-26-8.
What is the molecular formula of (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate?
The molecular formula of (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate is C15H22N2O3.
What is the molecular weight of (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate?
The molecular weight of (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate is 278.16306 g/mol.
Where can I buy (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate?
You can request a quote for (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 2-(3-isobutylureido)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.