4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid
TL;DR: 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid (CAS 1396963-05-5) is a chemical compound with molecular formula C12H16N2O6S and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-[(4-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid
Also Known As: 4-carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid, 4-Carbamoyl-2-(4-methoxy-benzenesulfonylamino)-butyric acid, 5-amino-2-[(4-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid, 4-carbamoyl-2-(4-methoxybenzenesulfonamido)butanoicacid, 4-carbamoyl-2-[(4-methoxyphenyl)sulfonylamino]butanoic Acid
| Molecular Formula | C12H16N2O6S |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | -0.3078 |
| Topological Polar Surface Area | 135.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 316.0729 |
| Heavy Atoms | 21 |
| Complexity | 611.1398 |
Chemical Identifiers
| CAS Number | 1396963-05-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)N)C(=O)O |
Product Overview
4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid (CAS 1396963-05-5), with molecular formula C12H16N2O6S and molecular weight 316.07 g/mol. IUPAC: 5-amino-2-[(4-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid.
Chemical Property Profile of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid
Property Insights of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid
The XLogP value of -0.3078 indicates that 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid. Following Lipinski's Rule of Five, 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid 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 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid?
The CAS number of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid is 1396963-05-5.
What is the molecular formula of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid?
The molecular formula of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid is C12H16N2O6S.
What is the molecular weight of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid?
The molecular weight of 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid is 316.07 g/mol.
Where can I buy 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid?
You can request a quote for 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Carbamoyl-2-(4-methoxybenzenesulfonamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.