AN-655/13402047
TL;DR: AN-655/13402047 (CAS 353518-41-9) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[4-(dimethylamino)phenyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/13402047, 1-[6-[4-(dimethylamino)phenyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-{6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone, 1-[6-(4-dimethylaminophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[6-[4-(DIMETHYLAMINO)PHENYL]-3-(METHYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE
| Molecular Formula | C21H21N5O2S |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 3.7706 |
| Topological Polar Surface Area | 71.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.1416 |
| Heavy Atoms | 29 |
| Complexity | 1055.192 |
Chemical Identifiers
| CAS Number | 353518-41-9 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)N(C)C |
Product Overview
AN-655/13402047 (CAS 353518-41-9), with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol. IUPAC: 1-[6-[4-(dimethylamino)phenyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/13402047
Property Insights of AN-655/13402047
The XLogP value of 3.7706 indicates that AN-655/13402047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13402047. Following Lipinski's Rule of Five, AN-655/13402047 has 0 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 AN-655/13402047?
The CAS number of AN-655/13402047 is 353518-41-9.
What is the molecular formula of AN-655/13402047?
The molecular formula of AN-655/13402047 is C21H21N5O2S.
What is the molecular weight of AN-655/13402047?
The molecular weight of AN-655/13402047 is 407.14 g/mol.
Where can I buy AN-655/13402047?
You can request a quote for AN-655/13402047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13402047?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13402047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.