![3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid structure](/static/products/1148/114833-30-6.webp)
3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid
TL;DR: 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid (CAS 114833-30-6) is a chemical compound with molecular formula C11H9N3O5S and molecular weight 295.0263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
Also Known As: BAS 00463677, 3-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid, N-(6-Nitro-benzothiazol-2-yl)-succinamic acid, 3-[N-(6-nitrobenzothiazol-2-yl)carbamoyl]propanoic acid, 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C11H9N3O5S |
| Molecular Weight | 295.0263 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0263 Da |
| Heavy Atoms | 20 |
| Complexity | 413.0 |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCC(=O)O |
| InChIKey | LQHJILZMMCKEKG-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid
Property Insights of 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid. The TPSA of 153.0 Ų indicates high polarity, suggesting 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid?
The CAS number of 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid is 114833-30-6.
What is the molecular formula of 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid?
The molecular formula of 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid is C11H9N3O5S.
What is the molecular weight of 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid?
The molecular weight of 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid is 295.0263 g/mol.
Where can I buy 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid?
You can request a quote for 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[(6-Nitro-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.