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Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate
TL;DR: Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate (CAS 315670-03-2) is a chemical compound with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate
Also Known As: BAS 02172142, methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate, METHYL 3-{[4-(PIPERIDINE-1-SULFONYL)PHENYL]CARBAMOYL}PROPANOATE, methyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate, AN-329/13569027
| Molecular Formula | C16H22N2O5S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 1.7529 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.12494 |
| Heavy Atoms | 24 |
| Complexity | 678.92426 |
Chemical Identifiers
| CAS Number | 315670-03-2 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 |
Product Overview
Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate (CAS 315670-03-2), with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol. IUPAC: methyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate.
Chemical Property Profile of Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate
Property Insights of Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate
The XLogP value of 1.7529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate. Following Lipinski's Rule of Five, Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate 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 Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate?
The CAS number of Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate is 315670-03-2.
What is the molecular formula of Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate?
The molecular formula of Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate is C16H22N2O5S.
What is the molecular weight of Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate?
The molecular weight of Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate is 354.12 g/mol.
Where can I buy Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate?
You can request a quote for Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxo-4-{[4-(1-piperidinylsulfonyl)phenyl]amino}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.