![Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate structure](/static/products/331/331749-52-1.png)
Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate
TL;DR: Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate (CAS 331749-52-1) is a chemical compound with molecular formula C12H16N4O5S and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(diaminomethylideneamino)sulfonylanilino]-4-oxobutanoate
Also Known As: methyl 4-((4-(N-carbamimidoylsulfamoyl)phenyl)amino)-4-oxobutanoate, methyl 4-[4-(diaminomethylideneamino)sulfonylanilino]-4-oxobutanoate, methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate, methyl 4-[4-({[amino(imino)methyl]amino}sulfonyl)anilino]-4-oxobutanoate
| Molecular Formula | C12H16N4O5S |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | -0.4596 |
| Topological Polar Surface Area | 153.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.08414 |
| Heavy Atoms | 22 |
| Complexity | 677.9731 |
Chemical Identifiers
| CAS Number | 331749-52-1 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C(N)N |
Product Overview
Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate (CAS 331749-52-1), with molecular formula C12H16N4O5S and molecular weight 328.08 g/mol. IUPAC: methyl 4-[4-(diaminomethylideneamino)sulfonylanilino]-4-oxobutanoate.
Chemical Property Profile of Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate
Property Insights of Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate
The XLogP value of -0.4596 indicates that Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.94 Ų indicates high polarity, suggesting Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate has 3 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-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate?
The CAS number of Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate is 331749-52-1.
What is the molecular formula of Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate?
The molecular formula of Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate is C12H16N4O5S.
What is the molecular weight of Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate?
The molecular weight of Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate is 328.08 g/mol.
Where can I buy Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate?
You can request a quote for Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.