![Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate structure](/static/products/6945/694501-76-3.webp)
Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate
TL;DR: Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate (CAS 694501-76-3) is a chemical compound with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 09537905, ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-(2-((6-acetamidobenzo[d]thiazol-2-yl)thio)acetamido)benzoate, ethyl 4-[[2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C20H19N3O4S2 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 4.1622 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.0817 |
| Heavy Atoms | 29 |
| Complexity | 1047.5659 |
Chemical Identifiers
| CAS Number | 694501-76-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C |
Product Overview
Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate (CAS 694501-76-3), with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol. IUPAC: ethyl 4-[[2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate
Property Insights of Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate
The XLogP value of 4.1622 indicates that Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate?
The CAS number of Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate is 694501-76-3.
What is the molecular formula of Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate?
The molecular formula of Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate is C20H19N3O4S2.
What is the molecular weight of Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate?
The molecular weight of Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate is 429.08 g/mol.
Where can I buy Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate?
You can request a quote for Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)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-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[({[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.