(S)-methyl 3-methyl-2-(3-pentylureido)butanoate
TL;DR: (S)-methyl 3-methyl-2-(3-pentylureido)butanoate (CAS 1173683-92-5) is a chemical compound with molecular formula C12H24N2O3 and molecular weight 244.1787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-3-methyl-2-(pentylcarbamoylamino)butanoate
Also Known As: (S)-methyl 3-methyl-2-(3-pentylureido)butanoate, methyl (2S)-3-methyl-2-(pentylcarbamoylamino)butanoate
Technical Specifications
| Molecular Formula | C12H24N2O3 |
| Molecular Weight | 244.1787 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 244.1787 Da |
| Heavy Atoms | 17 |
| Complexity | 242.0 |
| SMILES | CCCCCNC(=O)N[C@@H](C(C)C)C(=O)OC |
| InChIKey | HVHVDOIUPBWFDC-JTQLQIEISA-N |
Chemical Property Profile of (S)-methyl 3-methyl-2-(3-pentylureido)butanoate
Property Insights of (S)-methyl 3-methyl-2-(3-pentylureido)butanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 3-methyl-2-(3-pentylureido)butanoate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 3-methyl-2-(3-pentylureido)butanoate. Following Lipinski's Rule of Five, (S)-methyl 3-methyl-2-(3-pentylureido)butanoate 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 3-methyl-2-(3-pentylureido)butanoate?
The CAS number of (S)-methyl 3-methyl-2-(3-pentylureido)butanoate is 1173683-92-5.
What is the molecular formula of (S)-methyl 3-methyl-2-(3-pentylureido)butanoate?
The molecular formula of (S)-methyl 3-methyl-2-(3-pentylureido)butanoate is C12H24N2O3.
What is the molecular weight of (S)-methyl 3-methyl-2-(3-pentylureido)butanoate?
The molecular weight of (S)-methyl 3-methyl-2-(3-pentylureido)butanoate is 244.1787 g/mol.
Where can I buy (S)-methyl 3-methyl-2-(3-pentylureido)butanoate?
You can request a quote for (S)-methyl 3-methyl-2-(3-pentylureido)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 3-methyl-2-(3-pentylureido)butanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 3-methyl-2-(3-pentylureido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.