4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid
TL;DR: 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid (CAS 1009486-78-5) is a chemical compound with molecular formula C13H18N2O5S and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-5-oxopentanoic acid
Also Known As: 4-carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid, 5-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-5-oxopentanoic acid, 5-amino-2-{[(2,5-dimethylphenyl)sulfonyl]amino}-5-oxopentanoic acid, 4-carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoicacid, 5-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-5-oxo-pentanoic acid
| Molecular Formula | C13H18N2O5S |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 0.30044 |
| Topological Polar Surface Area | 126.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.09363 |
| Heavy Atoms | 21 |
| Complexity | 654.5255 |
Chemical Identifiers
| CAS Number | 1009486-78-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCC(=O)N)C(=O)O |
Product Overview
4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid (CAS 1009486-78-5), with molecular formula C13H18N2O5S and molecular weight 314.09 g/mol. IUPAC: 5-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-5-oxopentanoic acid.
Chemical Property Profile of 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid
Property Insights of 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid
The XLogP value of 0.30044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid. The TPSA of 126.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid. Following Lipinski's Rule of Five, 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid has 3 hydrogen bond donor(s) and 4 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-(2,5-dimethylbenzenesulfonamido)butanoic acid?
The CAS number of 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid is 1009486-78-5.
What is the molecular formula of 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid?
The molecular formula of 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid is C13H18N2O5S.
What is the molecular weight of 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid?
The molecular weight of 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid is 314.09 g/mol.
Where can I buy 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid?
You can request a quote for 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)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-(2,5-dimethylbenzenesulfonamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Carbamoyl-2-(2,5-dimethylbenzenesulfonamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.