![5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid structure](/static/products/3611/361159-47-9.webp)
5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid
TL;DR: 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid (CAS 361159-47-9) is a chemical compound with molecular formula C13H14N2O5S2 and molecular weight 342.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid
Also Known As: BAS 00668213, 5-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid, 4-[(6-methanesulfonyl-1,3-benzothiazol-2-yl)carbamoyl]butanoic acid, 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid, 4-(6-Methanesulfonyl-benzothiazol-2-ylcarbamoyl)-butyric acid
| Molecular Formula | C13H14N2O5S2 |
|---|---|
| Molecular Weight | 342.03 g/mol |
| LogP | 1.8932 |
| Topological Polar Surface Area | 113.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.03442 |
| Heavy Atoms | 22 |
| Complexity | 826.06805 |
Chemical Identifiers
| CAS Number | 361159-47-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC(=O)O |
Product Overview
5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid (CAS 361159-47-9), with molecular formula C13H14N2O5S2 and molecular weight 342.03 g/mol. IUPAC: 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid.
Chemical Property Profile of 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid
Property Insights of 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid
The XLogP value of 1.8932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid. The TPSA of 113.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid 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 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid?
The CAS number of 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid is 361159-47-9.
What is the molecular formula of 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid?
The molecular formula of 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid is C13H14N2O5S2.
What is the molecular weight of 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid?
The molecular weight of 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid is 342.03 g/mol.
Where can I buy 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid?
You can request a quote for 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.