![3-[(4-Methylbenzyl)thio]valine structure](/static/products/1330/1330286-51-5.webp)
3-[(4-Methylbenzyl)thio]valine
TL;DR: 3-[(4-Methylbenzyl)thio]valine (CAS 1330286-51-5) is a chemical compound with molecular formula C13H19NO2S and molecular weight 253.11365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-methyl-3-[(4-methylphenyl)methylsulfanyl]butanoic acid
Also Known As: 3-[(4-methylbenzyl)thio]valine, S-4-Methylbenzyl-D-penicillamine, S-4-Methylbenzyl-L-penicillamine, H-BETA,BETA-DIMETHYL-L-CYS(PMEBZL)-OH, H-BETA,BETA-DIMETHYL-D-CYS(PMEBZL)-OH
Technical Specifications
| Molecular Formula | C13H19NO2S |
| Molecular Weight | 253.11365 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.11365 Da |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
| SMILES | CC1=CC=C(C=C1)CSC(C)(C)C(C(=O)O)N |
| InChIKey | RXGXZBVIVDNKTB-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(4-Methylbenzyl)thio]valine
Property Insights of 3-[(4-Methylbenzyl)thio]valine
The XLogP value of -0.2 indicates that 3-[(4-Methylbenzyl)thio]valine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Methylbenzyl)thio]valine. Following Lipinski's Rule of Five, 3-[(4-Methylbenzyl)thio]valine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[(4-Methylbenzyl)thio]valine?
The CAS number of 3-[(4-Methylbenzyl)thio]valine is 1330286-51-5.
What is the molecular formula of 3-[(4-Methylbenzyl)thio]valine?
The molecular formula of 3-[(4-Methylbenzyl)thio]valine is C13H19NO2S.
What is the molecular weight of 3-[(4-Methylbenzyl)thio]valine?
The molecular weight of 3-[(4-Methylbenzyl)thio]valine is 253.11365 g/mol.
Where can I buy 3-[(4-Methylbenzyl)thio]valine?
You can request a quote for 3-[(4-Methylbenzyl)thio]valine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(4-Methylbenzyl)thio]valine?
Yes, CoreyChem provides custom synthesis services for 3-[(4-Methylbenzyl)thio]valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.