![Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate structure](/static/products/6632/663200-94-0.webp)
Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate
TL;DR: Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate (CAS 663200-94-0) is a chemical compound with molecular formula C18H15ClN2O3S2 and molecular weight 406.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-chlorobenzoate
Also Known As: CBKinase1_005457, CBKinase1_017857, AH-487/42193249, ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate, BRD-K08794464-001-01-2
| Molecular Formula | C18H15ClN2O3S2 |
|---|---|
| Molecular Weight | 406.02 g/mol |
| LogP | 4.8572 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.02127 |
| Heavy Atoms | 26 |
| Complexity | 925.51416 |
Chemical Identifiers
| CAS Number | 663200-94-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)Cl |
Product Overview
Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate (CAS 663200-94-0), with molecular formula C18H15ClN2O3S2 and molecular weight 406.02 g/mol. IUPAC: ethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-chlorobenzoate.
Chemical Property Profile of Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate
Property Insights of Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate
The XLogP value of 4.8572 indicates that Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate. Following Lipinski's Rule of Five, Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate has 1 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 Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate?
The CAS number of Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate is 663200-94-0.
What is the molecular formula of Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate?
The molecular formula of Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate is C18H15ClN2O3S2.
What is the molecular weight of Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate?
The molecular weight of Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate is 406.02 g/mol.
Where can I buy Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate?
You can request a quote for Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.