![methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate structure](/static/products/117/1173662-44-6.webp)
methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate
TL;DR: methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate (CAS 1173662-44-6) 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 (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
Also Known As: methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate, (R)-methyl 2-(3-(4-butylphenyl)ureido)propanoate, methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
Technical Specifications
| Molecular Formula | C15H22N2O3 |
| Molecular Weight | 278.16306 g/mol |
| XLogP | 3.1 |
| 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 | CCCCC1=CC=C(C=C1)NC(=O)N[C@H](C)C(=O)OC |
| InChIKey | QBGPQUZYPYSXGD-LLVKDONJSA-N |
Chemical Property Profile of methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate
Property Insights of methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate
The XLogP value of 3.1 indicates that methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate. Following Lipinski's Rule of Five, methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate 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 methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate?
The CAS number of methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate is 1173662-44-6.
What is the molecular formula of methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate?
The molecular formula of methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate is C15H22N2O3.
What is the molecular weight of methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate?
The molecular weight of methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate is 278.16306 g/mol.
Where can I buy methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate?
You can request a quote for methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate?
Yes, CoreyChem provides custom synthesis services for methyl N-[(4-butylphenyl)carbamoyl]-D-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.