(S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate
TL;DR: (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate (CAS 1173661-95-4) 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-[(3,5-dimethylphenyl)carbamoylamino]-3-methylbutanoate
Also Known As: (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate, methyl (2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-methylbutanoate
Technical Specifications
| Molecular Formula | C15H22N2O3 |
| Molecular Weight | 278.16306 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.16306 Da |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
| SMILES | CC1=CC(=CC(=C1)NC(=O)N[C@@H](C(C)C)C(=O)OC)C |
| InChIKey | VHFVKRPMLPEZTC-ZDUSSCGKSA-N |
Chemical Property Profile of (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate
Property Insights of (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate 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-(3,5-dimethylphenyl)ureido)-3-methylbutanoate?
The CAS number of (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate is 1173661-95-4.
What is the molecular formula of (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate?
The molecular formula of (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate is C15H22N2O3.
What is the molecular weight of (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate?
The molecular weight of (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate is 278.16306 g/mol.
Where can I buy (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate?
You can request a quote for (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 2-(3-(3,5-dimethylphenyl)ureido)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.