![Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate structure](/static/products/7130/713080-72-9.webp)
Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate
TL;DR: Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate (CAS 713080-72-9) is a chemical compound with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoate
Also Known As: ethyl 4-(2-benzothiazol-2-ylthiobutanoylamino)benzoate, ethyl 4-(2-(benzo[d]thiazol-2-ylthio)butanamido)benzoate, ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate, ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoate, ETHYL 4-[2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)BUTANAMIDO]BENZOATE
| Molecular Formula | C20H20N2O3S2 |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 4.9824 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.09152 |
| Heavy Atoms | 27 |
| Complexity | 904.80963 |
Chemical Identifiers
| CAS Number | 713080-72-9 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=CC=CC=C3S2 |
Product Overview
Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate (CAS 713080-72-9), with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol. IUPAC: ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate
Property Insights of Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate
The XLogP value of 4.9824 indicates that Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate 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 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate 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 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate?
The CAS number of Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate is 713080-72-9.
What is the molecular formula of Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate?
The molecular formula of Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate is C20H20N2O3S2.
What is the molecular weight of Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate?
The molecular weight of Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate is 400.09 g/mol.
Where can I buy Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate?
You can request a quote for Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.