N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine
TL;DR: N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine (CAS 102516-65-4) is a chemical compound with molecular formula C18H18ClNO5S and molecular weight 395.05942 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-chloroacetyl)-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
Also Known As: Tosyl-L-phenylalanylchloromethyl ketone, N-Tosyl-L-phenylalanine chloromethyl ketone, N-(Chloroacetyl)-3-phenyl-N-(p-tolylsulfonyl)alanine, ALANINE, N-(CHLOROACETYL)-3-PHENYL-N-(p-TOLYLSULFONYL)-, n-(chloroacetyl)-n-[(4-methylphenyl)sulfonyl]phenylalanine
Technical Specifications
| Molecular Formula | C18H18ClNO5S |
| Molecular Weight | 395.05942 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.05942 Da |
| Heavy Atoms | 26 |
| Complexity | 589.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)CCl |
| InChIKey | FQGPFIVHBQIVKG-UHFFFAOYSA-N |
Chemical Property Profile of N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine
Property Insights of N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine
The XLogP value of 3.4 indicates that N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine. Following Lipinski's Rule of Five, N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine?
The CAS number of N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine is 102516-65-4.
What is the molecular formula of N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine?
The molecular formula of N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine is C18H18ClNO5S.
What is the molecular weight of N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine?
The molecular weight of N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine is 395.05942 g/mol.
Where can I buy N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine?
You can request a quote for N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine?
Yes, CoreyChem provides custom synthesis services for N-(Chloroacetyl)-N-(4-methylbenzene-1-sulfonyl)phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.