AN-655/14169008
TL;DR: AN-655/14169008 (CAS 354778-02-2) is a chemical compound with molecular formula C22H19BrN4O4S and molecular weight 514.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/14169008, 1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 1-[6-(6-BROMO-1,3-BENZODIOXOL-5-YL)-3-(PROPYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 7-acetyl-6-(6-bromo-1,3-benzodioxol-5-yl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C22H19BrN4O4S |
|---|---|
| Molecular Weight | 514.03 g/mol |
| LogP | 4.976 |
| Topological Polar Surface Area | 86.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.03107 |
| Heavy Atoms | 32 |
| Complexity | 1208.5435 |
Chemical Identifiers
| CAS Number | 354778-02-2 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC5=C(C=C4Br)OCO5)C(=O)C)N=N1 |
Product Overview
AN-655/14169008 (CAS 354778-02-2), with molecular formula C22H19BrN4O4S and molecular weight 514.03 g/mol. IUPAC: 1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/14169008
Property Insights of AN-655/14169008
The XLogP value of 4.976 indicates that AN-655/14169008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/14169008. Following Lipinski's Rule of Five, AN-655/14169008 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/14169008?
The CAS number of AN-655/14169008 is 354778-02-2.
What is the molecular formula of AN-655/14169008?
The molecular formula of AN-655/14169008 is C22H19BrN4O4S.
What is the molecular weight of AN-655/14169008?
The molecular weight of AN-655/14169008 is 514.03 g/mol.
Where can I buy AN-655/14169008?
You can request a quote for AN-655/14169008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14169008?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14169008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.