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1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate
TL;DR: 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate (CAS 516467-45-1) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxo-1-phenylbutan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate
Also Known As: 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate, 1-oxo-1-phenylbutan-2-yl 2-(4-methylphenylsulfonamido)acetate, 1-BENZOYLPROPYL 2-{[(4-METHYLPHENYL)SULFONYL]AMINO}ACETATE, (1-oxo-1-phenylbutan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 2.47802 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 860.5623 |
Chemical Identifiers
| CAS Number | 516467-45-1 |
|---|---|
| SMILES | CCC(C(=O)C1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate (CAS 516467-45-1), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: (1-oxo-1-phenylbutan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate.
Chemical Property Profile of 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate
Property Insights of 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate
The XLogP value of 2.47802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate. Following Lipinski's Rule of Five, 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate 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
Frequently Asked Questions
What is the CAS number of 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate?
The CAS number of 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate is 516467-45-1.
What is the molecular formula of 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate?
The molecular formula of 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate is C19H21NO5S.
What is the molecular weight of 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate?
The molecular weight of 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate is 375.11 g/mol.
Where can I buy 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate?
You can request a quote for 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-1-phenylbutan-2-yl N-[(4-methylphenyl)sulfonyl]glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.