![3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid structure](/static/products/3565/356589-50-9.webp)
3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
TL;DR: 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid (CAS 356589-50-9) is a chemical compound with molecular formula C18H16N2O4S2 and molecular weight 388.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: ChemDiv1_003150, 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid, 3-[2-(6-ethoxybenzothiazol-2-ylthio)acetylamino]benzoic acid, 3-({[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)benzoic acid
| Molecular Formula | C18H16N2O4S2 |
|---|---|
| Molecular Weight | 388.06 g/mol |
| LogP | 4.124 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.05515 |
| Heavy Atoms | 26 |
| Complexity | 955.26904 |
Chemical Identifiers
| CAS Number | 356589-50-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid (CAS 356589-50-9), with molecular formula C18H16N2O4S2 and molecular weight 388.06 g/mol. IUPAC: 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
Property Insights of 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
The XLogP value of 4.124 indicates that 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid has 2 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 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid?
The CAS number of 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid is 356589-50-9.
What is the molecular formula of 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid?
The molecular formula of 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid is C18H16N2O4S2.
What is the molecular weight of 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid?
The molecular weight of 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid is 388.06 g/mol.
Where can I buy 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid?
You can request a quote for 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.