A0566/0026134
TL;DR: A0566/0026134 (CAS 339583-98-1) is a chemical compound with molecular formula C25H22N4O4S and molecular weight 474.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: A0566/0026134, 2-((3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)-N-(3-nitrophenyl)acetamide, 2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide, 2-{[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]sulfanyl}-N-{3-nitrophenyl}acetamide, 2-{[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
| Molecular Formula | C25H22N4O4S |
|---|---|
| Molecular Weight | 474.14 g/mol |
| LogP | 5.14668 |
| Topological Polar Surface Area | 118.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.13617 |
| Heavy Atoms | 34 |
| Complexity | 1285.3085 |
Chemical Identifiers
| CAS Number | 339583-98-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C#N |
Product Overview
A0566/0026134 (CAS 339583-98-1), with molecular formula C25H22N4O4S and molecular weight 474.14 g/mol. IUPAC: 2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of A0566/0026134
Property Insights of A0566/0026134
The XLogP value of 5.14668 indicates that A0566/0026134 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.15 Ų falls within the moderate polarity range, balancing permeability and solubility for A0566/0026134. Following Lipinski's Rule of Five, A0566/0026134 has 1 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 A0566/0026134?
The CAS number of A0566/0026134 is 339583-98-1.
What is the molecular formula of A0566/0026134?
The molecular formula of A0566/0026134 is C25H22N4O4S.
What is the molecular weight of A0566/0026134?
The molecular weight of A0566/0026134 is 474.14 g/mol.
Where can I buy A0566/0026134?
You can request a quote for A0566/0026134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0566/0026134?
Yes, KEHONG BIO provides custom synthesis services for A0566/0026134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.