Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate
TL;DR: Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate (CAS 64187-44-6) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyanomethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
Also Known As: N-Tosylphenylalanincyanomethylester, L-3-Phenyl-N-(p-tolylsulfonyl)alanine cyanomethyl ester, N-(p-Tolylsulfonyl)-L-phenylalanine cyanomethyl ester, Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate, ALANINE, 3-PHENYL-N-(p-TOLYLSULFONYL)-, CYANOMETHYL ESTER, L-
Technical Specifications
| Molecular Formula | C18H18N2O4S |
| Molecular Weight | 358.09872 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.09872 Da |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC#N |
| InChIKey | VUEMVRRTXLPPPX-KRWDZBQOSA-N |
Chemical Property Profile of Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate
Property Insights of Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate
The XLogP value of 3.0 indicates that Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate. Following Lipinski's Rule of Five, Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate?
The CAS number of Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate is 64187-44-6.
What is the molecular formula of Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate?
The molecular formula of Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate is C18H18N2O4S.
What is the molecular weight of Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate?
The molecular weight of Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate is 358.09872 g/mol.
Where can I buy Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate?
You can request a quote for Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate?
Yes, CoreyChem provides custom synthesis services for Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.