4-(Tosylamino)butyric acid methyl ester
TL;DR: 4-(Tosylamino)butyric acid methyl ester (CAS 118429-43-9) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(4-methylphenyl)sulfonylamino]butanoate
Also Known As: methyl 4-(tosylamino)butyrate, 4-(tosylamino)butyric acid methyl ester, 4-(Tosylamino)butanoic acid methyl ester, methyl 4-(4-methylbenzenesulfonamido)butanoate, 4-(p-tolylsulfonylamino)-butyric acid methyl ester
Technical Specifications
| Molecular Formula | C12H17NO4S |
| Molecular Weight | 271.08783 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.08783 Da |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC |
| InChIKey | WSRKVSRLDAECTF-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Tosylamino)butyric acid methyl ester
Property Insights of 4-(Tosylamino)butyric acid methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Tosylamino)butyric acid methyl ester. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Tosylamino)butyric acid methyl ester. Following Lipinski's Rule of Five, 4-(Tosylamino)butyric acid methyl ester 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 4-(Tosylamino)butyric acid methyl ester?
The CAS number of 4-(Tosylamino)butyric acid methyl ester is 118429-43-9.
What is the molecular formula of 4-(Tosylamino)butyric acid methyl ester?
The molecular formula of 4-(Tosylamino)butyric acid methyl ester is C12H17NO4S.
What is the molecular weight of 4-(Tosylamino)butyric acid methyl ester?
The molecular weight of 4-(Tosylamino)butyric acid methyl ester is 271.08783 g/mol.
Where can I buy 4-(Tosylamino)butyric acid methyl ester?
You can request a quote for 4-(Tosylamino)butyric acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Tosylamino)butyric acid methyl ester?
Yes, CoreyChem provides custom synthesis services for 4-(Tosylamino)butyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.