![5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid structure](/static/products/4449/444937-77-3.webp)
5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid
TL;DR: 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid (CAS 444937-77-3) is a chemical compound with molecular formula C12H11ClN2O3S and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid
Also Known As: 5-[(6-chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid, 4-[(6-chlorobenzothiazol-2-yl)carbamoyl]butanoic Acid, 4-[N-(6-chlorobenzothiazol-2-yl)carbamoyl]butanoic acid, 4-[(6-CHLORO-1,3-BENZOTHIAZOL-2-YL)CARBAMOYL]BUTANOIC ACID
| Molecular Formula | C12H11ClN2O3S |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 3.1431 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.01788 |
| Heavy Atoms | 19 |
| Complexity | 626.46204 |
Chemical Identifiers
| CAS Number | 444937-77-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)SC(=N2)NC(=O)CCCC(=O)O |
Product Overview
5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid (CAS 444937-77-3), with molecular formula C12H11ClN2O3S and molecular weight 298.02 g/mol. IUPAC: 5-[(6-chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid.
Chemical Property Profile of 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid
Property Insights of 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid
The XLogP value of 3.1431 indicates that 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic 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 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid?
The CAS number of 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid is 444937-77-3.
What is the molecular formula of 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid?
The molecular formula of 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid is C12H11ClN2O3S.
What is the molecular weight of 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid?
The molecular weight of 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid is 298.02 g/mol.
Where can I buy 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid?
You can request a quote for 5-[(6-Chloro-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-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.