4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid
TL;DR: 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid (CAS 385402-31-3) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid
Also Known As: 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid, BAS 02081030, 5-((4-Methylbenzo[d]thiazol-2-yl)amino)-5-oxopentanoic acid, 5-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid, 4-[N-(4-methylbenzothiazol-2-yl)carbamoyl]butanoic acid
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.79812 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 621.3759 |
Chemical Identifiers
| CAS Number | 385402-31-3 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCCC(=O)O |
Product Overview
4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid (CAS 385402-31-3), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: 5-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid.
Chemical Property Profile of 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid
Property Insights of 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid
The XLogP value of 2.79812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid. Following Lipinski's Rule of Five, 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric 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-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid?
The CAS number of 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid is 385402-31-3.
What is the molecular formula of 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid?
The molecular formula of 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid is C13H14N2O3S.
What is the molecular weight of 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid?
The molecular weight of 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid is 278.07 g/mol.
Where can I buy 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid?
You can request a quote for 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methyl-benzothiazol-2-ylcarbamoyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.