AN-655/40858822
TL;DR: AN-655/40858822 (CAS 486995-84-0) is a chemical compound with molecular formula C26H24N4O3S and molecular weight 472.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(4-methoxynaphthalen-1-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one
Also Known As: AN-655/40858822, 1-[6-(4-methoxynaphthalen-1-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one, 7-butyryl-6-(4-methoxy-1-naphthyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 1-[6-(4-methoxynaphthalen-1-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
| Molecular Formula | C26H24N4O3S |
|---|---|
| Molecular Weight | 472.16 g/mol |
| LogP | 5.6466 |
| Topological Polar Surface Area | 77.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.15692 |
| Heavy Atoms | 34 |
| Complexity | 1377.5183 |
Chemical Identifiers
| CAS Number | 486995-84-0 |
|---|---|
| SMILES | CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C5=CC=CC=C45)OC |
Product Overview
AN-655/40858822 (CAS 486995-84-0), with molecular formula C26H24N4O3S and molecular weight 472.16 g/mol. IUPAC: 1-[6-(4-methoxynaphthalen-1-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one.
Chemical Property Profile of AN-655/40858822
Property Insights of AN-655/40858822
The XLogP value of 5.6466 indicates that AN-655/40858822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/40858822. Following Lipinski's Rule of Five, AN-655/40858822 has 0 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 AN-655/40858822?
The CAS number of AN-655/40858822 is 486995-84-0.
What is the molecular formula of AN-655/40858822?
The molecular formula of AN-655/40858822 is C26H24N4O3S.
What is the molecular weight of AN-655/40858822?
The molecular weight of AN-655/40858822 is 472.16 g/mol.
Where can I buy AN-655/40858822?
You can request a quote for AN-655/40858822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/40858822?
Yes, KEHONG BIO provides custom synthesis services for AN-655/40858822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.