(S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate
TL;DR: (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate (CAS 1173665-82-1) is a chemical compound with molecular formula C16H24N2O3 and molecular weight 292.17868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoate
Also Known As: methyl N-[(4-methylbenzyl)carbamoyl]-L-leucinate, (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate
Technical Specifications
| Molecular Formula | C16H24N2O3 |
| Molecular Weight | 292.17868 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.17868 Da |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
| SMILES | CC1=CC=C(C=C1)CNC(=O)N[C@@H](CC(C)C)C(=O)OC |
| InChIKey | XMRDHRDVYVFMDQ-AWEZNQCLSA-N |
Chemical Property Profile of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate
Property Insights of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate. Following Lipinski's Rule of Five, (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate 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 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate?
The CAS number of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate is 1173665-82-1.
What is the molecular formula of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate?
The molecular formula of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate is C16H24N2O3.
What is the molecular weight of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate?
The molecular weight of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate is 292.17868 g/mol.
Where can I buy (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate?
You can request a quote for (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.