(S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate
TL;DR: (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate (CAS 1173683-22-1) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoate
Also Known As: (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate, methyl (2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoate
Technical Specifications
| Molecular Formula | C13H18N2O3 |
| Molecular Weight | 250.13174 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.13174 Da |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
| SMILES | CC1=CC=C(C=C1)CNC(=O)N[C@@H](C)C(=O)OC |
| InChIKey | VTFJIFNOLSGVDK-JTQLQIEISA-N |
Chemical Property Profile of (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate
Property Insights of (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate 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-(4-methylbenzyl)ureido)propanoate?
The CAS number of (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate is 1173683-22-1.
What is the molecular formula of (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate?
The molecular formula of (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate is C13H18N2O3.
What is the molecular weight of (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate?
The molecular weight of (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate is 250.13174 g/mol.
Where can I buy (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate?
You can request a quote for (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 2-(3-(4-methylbenzyl)ureido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.