2H-318S
TL;DR: 2H-318S (CAS 1396994-87-8) is a chemical compound with molecular formula C15H19F3N2O5S2 and molecular weight 428.06876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-methylsulfanyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoate
Also Known As: 2H-318S, Methyl 4-methylsulfanyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoate, methyl 4-(methylsulfanyl)-2-{[2-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)acetyl]amino}butanoate, methyl 4-(methylsulfanyl)-2-{2-[3-(trifluoromethyl)benzenesulfonamido]acetamido}butanoate
Technical Specifications
| Molecular Formula | C15H19F3N2O5S2 |
| Molecular Weight | 428.06876 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 428.06876 Da |
| Heavy Atoms | 27 |
| Complexity | 608.0 |
| SMILES | COC(=O)C(CCSC)NC(=O)CNS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F |
| InChIKey | ZOLRMWMKSGPSRS-UHFFFAOYSA-N |
Chemical Property Profile of 2H-318S
Property Insights of 2H-318S
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-318S. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-318S. Following Lipinski's Rule of Five, 2H-318S has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2H-318S?
The CAS number of 2H-318S is 1396994-87-8.
What is the molecular formula of 2H-318S?
The molecular formula of 2H-318S is C15H19F3N2O5S2.
What is the molecular weight of 2H-318S?
The molecular weight of 2H-318S is 428.06876 g/mol.
Where can I buy 2H-318S?
You can request a quote for 2H-318S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2H-318S?
Yes, CoreyChem provides custom synthesis services for 2H-318S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.