AN-655/13786029
TL;DR: AN-655/13786029 (CAS 353519-75-2) is a chemical compound with molecular formula C21H22BrN5OS and molecular weight 471.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(10-bromo-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-diethylaniline
Also Known As: AN-655/13786029, 4-(10-bromo-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-diethylaniline, 4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-diethylaniline, N-{4-[10-BROMO-3-(METHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENYL}-N,N-DIETHYLAMINE
| Molecular Formula | C21H22BrN5OS |
|---|---|
| Molecular Weight | 471.07 g/mol |
| LogP | 5.3723 |
| Topological Polar Surface Area | 63.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.07285 |
| Heavy Atoms | 29 |
| Complexity | 1010.4533 |
Chemical Identifiers
| CAS Number | 353519-75-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SC |
Product Overview
AN-655/13786029 (CAS 353519-75-2), with molecular formula C21H22BrN5OS and molecular weight 471.07 g/mol. IUPAC: 4-(10-bromo-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-diethylaniline.
Chemical Property Profile of AN-655/13786029
Property Insights of AN-655/13786029
The XLogP value of 5.3723 indicates that AN-655/13786029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13786029. Following Lipinski's Rule of Five, AN-655/13786029 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/13786029?
The CAS number of AN-655/13786029 is 353519-75-2.
What is the molecular formula of AN-655/13786029?
The molecular formula of AN-655/13786029 is C21H22BrN5OS.
What is the molecular weight of AN-655/13786029?
The molecular weight of AN-655/13786029 is 471.07 g/mol.
Where can I buy AN-655/13786029?
You can request a quote for AN-655/13786029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13786029?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13786029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.