AR-C69457AA
TL;DR: AR-C69457AA (CAS 438576-82-0) is a chemical compound with molecular formula C26H30N2O5S2 and molecular weight 514.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-7-[2-[3-[2-(2-naphthalen-1-ylethoxy)ethylsulfonyl]propylamino]ethyl]-3H-1,3-benzothiazol-2-one
Also Known As: AR-C69457AA, 2(3H)-Benzothiazolone, 4-hydroxy-7-(2-((3-((2-(2-(1-naphthalenyl)ethoxy)ethyl)sulfonyl)propyl)amino)ethyl)-, 4-Hydroxy-7-(2-(3-(2-(2-(1-naphthyl)ethoxy)ethylsulfonyl)propylamino)ethyl)-3H-1,3-benzothiazol-2-one, 7-(2-((3-(2-(2-(Naphthalen-1-yl)ethoxy)ethanesulfonyl)propyl)amino)ethyl)-1,3-benzothiazole-2,4-diol, 2(3H)-Benzothiazolone, 4-hydroxy-7-[2-[[3-[[2-[2-(1-naphthalenyl)ethoxy]ethyl]sulfonyl]propyl]amino]ethyl]-
| Molecular Formula | C26H30N2O5S2 |
|---|---|
| Molecular Weight | 514.16 g/mol |
| LogP | 3.6447 |
| Topological Polar Surface Area | 108.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 514.1596 |
| Heavy Atoms | 35 |
| Complexity | 1437.9342 |
Chemical Identifiers
| CAS Number | 438576-82-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CCOCCS(=O)(=O)CCCNCCC3=C4C(=C(C=C3)O)NC(=O)S4 |
Product Overview
AR-C69457AA (CAS 438576-82-0), with molecular formula C26H30N2O5S2 and molecular weight 514.16 g/mol. IUPAC: 4-hydroxy-7-[2-[3-[2-(2-naphthalen-1-ylethoxy)ethylsulfonyl]propylamino]ethyl]-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of AR-C69457AA
Property Insights of AR-C69457AA
The XLogP value of 3.6447 indicates that AR-C69457AA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AR-C69457AA. Following Lipinski's Rule of Five, AR-C69457AA has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AR-C69457AA?
The CAS number of AR-C69457AA is 438576-82-0.
What is the molecular formula of AR-C69457AA?
The molecular formula of AR-C69457AA is C26H30N2O5S2.
What is the molecular weight of AR-C69457AA?
The molecular weight of AR-C69457AA is 514.16 g/mol.
Where can I buy AR-C69457AA?
You can request a quote for AR-C69457AA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AR-C69457AA?
Yes, KEHONG BIO provides custom synthesis services for AR-C69457AA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.