A0566/0026125
TL;DR: A0566/0026125 (CAS 339583-87-8) is a chemical compound with molecular formula C21H24N2O2S2 and molecular weight 400.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(7-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
Also Known As: A0566/0026125, methyl [(7-tert-butyl-3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate, methyl {[7-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate, methyl 2-((7-(tert-butyl)-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate, methyl 2-[(7-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
| Molecular Formula | C21H24N2O2S2 |
|---|---|
| Molecular Weight | 400.13 g/mol |
| LogP | 5.09788 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.12793 |
| Heavy Atoms | 27 |
| Complexity | 877.0622 |
Chemical Identifiers
| CAS Number | 339583-87-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)N=C(C(=C2C3=CC=CS3)C#N)SCC(=O)OC |
Product Overview
A0566/0026125 (CAS 339583-87-8), with molecular formula C21H24N2O2S2 and molecular weight 400.13 g/mol. IUPAC: methyl 2-[(7-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate.
Chemical Property Profile of A0566/0026125
Property Insights of A0566/0026125
The XLogP value of 5.09788 indicates that A0566/0026125 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for A0566/0026125. Following Lipinski's Rule of Five, A0566/0026125 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0566/0026125?
The CAS number of A0566/0026125 is 339583-87-8.
What is the molecular formula of A0566/0026125?
The molecular formula of A0566/0026125 is C21H24N2O2S2.
What is the molecular weight of A0566/0026125?
The molecular weight of A0566/0026125 is 400.13 g/mol.
Where can I buy A0566/0026125?
You can request a quote for A0566/0026125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0566/0026125?
Yes, KEHONG BIO provides custom synthesis services for A0566/0026125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.