A2441/0103451
TL;DR: A2441/0103451 (CAS 313397-88-5) is a chemical compound with molecular formula C19H16N2O6S2 and molecular weight 432.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: A2441/0103451, 5-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid, 5-({[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid, 5-[2-(6-ethoxybenzothiazol-2-ylthio)acetylamino]benzene-1,3-dicarboxylic acid, 5-{2-[(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)SULFANYL]ACETAMIDO}BENZENE-1,3-DICARBOXYLIC ACID
| Molecular Formula | C19H16N2O6S2 |
|---|---|
| Molecular Weight | 432.04 g/mol |
| LogP | 3.8222 |
| Topological Polar Surface Area | 125.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.04498 |
| Heavy Atoms | 29 |
| Complexity | 1063.2429 |
Chemical Identifiers
| CAS Number | 313397-88-5 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O |
Product Overview
A2441/0103451 (CAS 313397-88-5), with molecular formula C19H16N2O6S2 and molecular weight 432.04 g/mol. IUPAC: 5-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of A2441/0103451
Property Insights of A2441/0103451
The XLogP value of 3.8222 indicates that A2441/0103451 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.82 Ų falls within the moderate polarity range, balancing permeability and solubility for A2441/0103451. Following Lipinski's Rule of Five, A2441/0103451 has 3 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 A2441/0103451?
The CAS number of A2441/0103451 is 313397-88-5.
What is the molecular formula of A2441/0103451?
The molecular formula of A2441/0103451 is C19H16N2O6S2.
What is the molecular weight of A2441/0103451?
The molecular weight of A2441/0103451 is 432.04 g/mol.
Where can I buy A2441/0103451?
You can request a quote for A2441/0103451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2441/0103451?
Yes, KEHONG BIO provides custom synthesis services for A2441/0103451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.