AN-655/13401028
TL;DR: AN-655/13401028 (CAS 353518-03-3) is a chemical compound with molecular formula C20H15N5O6S and molecular weight 453.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-methylsulfanyl-6-(6-nitro-1,3-benzodioxol-5-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/13401028, 1-[3-methylsulfanyl-6-(6-nitro-1,3-benzodioxol-5-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[3-(METHYLSULFANYL)-6-(6-NITRO-1,3-BENZODIOXOL-5-YL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 7-acetyl-6-{6-nitro-1,3-benzodioxol-5-yl}-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, Cambridge id 6375231
| Molecular Formula | C20H15N5O6S |
|---|---|
| Molecular Weight | 453.07 g/mol |
| LogP | 3.3415 |
| Topological Polar Surface Area | 129.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.0743 |
| Heavy Atoms | 32 |
| Complexity | 1269.2229 |
Chemical Identifiers
| CAS Number | 353518-03-3 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC5=C(C=C4[N+](=O)[O-])OCO5 |
Product Overview
AN-655/13401028 (CAS 353518-03-3), with molecular formula C20H15N5O6S and molecular weight 453.07 g/mol. IUPAC: 1-[3-methylsulfanyl-6-(6-nitro-1,3-benzodioxol-5-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/13401028
Property Insights of AN-655/13401028
The XLogP value of 3.3415 indicates that AN-655/13401028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13401028. Following Lipinski's Rule of Five, AN-655/13401028 has 0 hydrogen bond donor(s) and 10 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-655/13401028?
The CAS number of AN-655/13401028 is 353518-03-3.
What is the molecular formula of AN-655/13401028?
The molecular formula of AN-655/13401028 is C20H15N5O6S.
What is the molecular weight of AN-655/13401028?
The molecular weight of AN-655/13401028 is 453.07 g/mol.
Where can I buy AN-655/13401028?
You can request a quote for AN-655/13401028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13401028?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13401028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.