AN-655/13402056
TL;DR: AN-655/13402056 (CAS 353518-47-5) is a chemical compound with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoate
Also Known As: AN-655/13402056, methyl 4-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate, methyl 4-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoate, methyl 4-(7-acetyl-3-(methylthio)-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)benzoate, methyl 4-[10-acetyl-5-(methylsulfanyl)-8-oxa-3,4,6,10-tetraazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2,4,6,12,14-hexaen-9-yl]benzoate
| Molecular Formula | C21H18N4O4S |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 3.4912 |
| Topological Polar Surface Area | 94.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.1049 |
| Heavy Atoms | 30 |
| Complexity | 1120.2441 |
Chemical Identifiers
| CAS Number | 353518-47-5 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)C(=O)OC |
Product Overview
AN-655/13402056 (CAS 353518-47-5), with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol. IUPAC: methyl 4-(7-acetyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoate.
Chemical Property Profile of AN-655/13402056
Property Insights of AN-655/13402056
The XLogP value of 3.4912 indicates that AN-655/13402056 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13402056. Following Lipinski's Rule of Five, AN-655/13402056 has 0 hydrogen bond donor(s) and 8 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-655/13402056?
The CAS number of AN-655/13402056 is 353518-47-5.
What is the molecular formula of AN-655/13402056?
The molecular formula of AN-655/13402056 is C21H18N4O4S.
What is the molecular weight of AN-655/13402056?
The molecular weight of AN-655/13402056 is 422.10 g/mol.
Where can I buy AN-655/13402056?
You can request a quote for AN-655/13402056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13402056?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13402056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.