![4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid structure](/static/products/889/889596-29-6.png)
4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
TL;DR: 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid (CAS 889596-29-6) is a chemical compound with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
Also Known As: 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid, 3-[(6-methyl-4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl]propanoic Acid, 3-[N-(6-methyl-4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl]propanoic acid, 4-((6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)amino)-4-oxobutanoic acid
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 2.0712 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 469.88763 |
Chemical Identifiers
| CAS Number | 889596-29-6 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=N2)NC(=O)CCC(=O)O |
Product Overview
4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid (CAS 889596-29-6), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
Property Insights of 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
The XLogP value of 2.0712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid has 2 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-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid?
The CAS number of 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid is 889596-29-6.
What is the molecular formula of 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid?
The molecular formula of 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid is C12H16N2O3S.
What is the molecular weight of 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid?
The molecular weight of 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid is 268.09 g/mol.
Where can I buy 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid?
You can request a quote for 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.