AN-655/14573036
TL;DR: AN-655/14573036 (CAS 354781-33-2) is a chemical compound with molecular formula C26H27BrN4O5S and molecular weight 586.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(7-acetyl-3-butylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-bromo-6-ethoxyphenyl] acetate
Also Known As: AN-655/14573036, 4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-bromo-6-ethoxyphenyl acetate, 1-[6-[4-(Acetyloxy)-3-bromo-5-ethoxyphenyl]-3-(butylthio)-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, [4-(7-acetyl-3-butylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-bromo-6-ethoxyphenyl] acetate
| Molecular Formula | C26H27BrN4O5S |
|---|---|
| Molecular Weight | 586.09 g/mol |
| LogP | 5.9614 |
| Topological Polar Surface Area | 103.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 586.08856 |
| Heavy Atoms | 37 |
| Complexity | 1322.1196 |
Chemical Identifiers
| CAS Number | 354781-33-2 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)Br)OC(=O)C)OCC)C(=O)C)N=N1 |
Product Overview
AN-655/14573036 (CAS 354781-33-2), with molecular formula C26H27BrN4O5S and molecular weight 586.09 g/mol. IUPAC: [4-(7-acetyl-3-butylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-bromo-6-ethoxyphenyl] acetate.
Chemical Property Profile of AN-655/14573036
Property Insights of AN-655/14573036
The XLogP value of 5.9614 indicates that AN-655/14573036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/14573036. Following Lipinski's Rule of Five, AN-655/14573036 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/14573036?
The CAS number of AN-655/14573036 is 354781-33-2.
What is the molecular formula of AN-655/14573036?
The molecular formula of AN-655/14573036 is C26H27BrN4O5S.
What is the molecular weight of AN-655/14573036?
The molecular weight of AN-655/14573036 is 586.09 g/mol.
Where can I buy AN-655/14573036?
You can request a quote for AN-655/14573036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14573036?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14573036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.