![Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate structure](/static/products/6429/642943-65-5.webp)
Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate
TL;DR: Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate (CAS 642943-65-5) is a chemical compound with molecular formula C16H21N3O5S2 and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate
Also Known As: F1723-0199, METHYL 4-OXO-4-({[4-(PYRROLIDINE-1-SULFONYL)PHENYL]CARBAMOTHIOYL}AMINO)BUTANOATE, methyl 4-oxo-4-(3-(4-(pyrrolidin-1-ylsulfonyl)phenyl)thioureido)butanoate, methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate, Methyl 3-[(4-pyrrolidin-1-ylsulfonylphenyl)thiocarbamoylcarbamoyl]propanoate
| Molecular Formula | C16H21N3O5S2 |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 1.2373 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.09225 |
| Heavy Atoms | 26 |
| Complexity | 771.5799 |
Chemical Identifiers
| CAS Number | 642943-65-5 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 |
Product Overview
Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate (CAS 642943-65-5), with molecular formula C16H21N3O5S2 and molecular weight 399.09 g/mol. IUPAC: methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate.
Chemical Property Profile of Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate
Property Insights of Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate
The XLogP value of 1.2373 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate. Following Lipinski's Rule of Five, Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate has 2 hydrogen bond donor(s) and 6 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-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate?
The CAS number of Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate is 642943-65-5.
What is the molecular formula of Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate?
The molecular formula of Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate is C16H21N3O5S2.
What is the molecular weight of Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate?
The molecular weight of Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate is 399.09 g/mol.
Where can I buy Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate?
You can request a quote for Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]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-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.