AN-655/14023049
TL;DR: AN-655/14023049 (CAS 354777-52-9) is a chemical compound with molecular formula C23H19BrN4O2S and molecular weight 494.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-3-ethylsulfanyl-6-(4-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/14023049, 10-bromo-3-ethylsulfanyl-6-(4-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1-naphthyl methyl ether
| Molecular Formula | C23H19BrN4O2S |
|---|---|
| Molecular Weight | 494.04 g/mol |
| LogP | 6.078 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.0412 |
| Heavy Atoms | 31 |
| Complexity | 1283.894 |
Chemical Identifiers
| CAS Number | 354777-52-9 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CC=C(C5=CC=CC=C45)OC)N=N1 |
Product Overview
AN-655/14023049 (CAS 354777-52-9), with molecular formula C23H19BrN4O2S and molecular weight 494.04 g/mol. IUPAC: 10-bromo-3-ethylsulfanyl-6-(4-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/14023049
Property Insights of AN-655/14023049
The XLogP value of 6.078 indicates that AN-655/14023049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/14023049. Following Lipinski's Rule of Five, AN-655/14023049 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-655/14023049?
The CAS number of AN-655/14023049 is 354777-52-9.
What is the molecular formula of AN-655/14023049?
The molecular formula of AN-655/14023049 is C23H19BrN4O2S.
What is the molecular weight of AN-655/14023049?
The molecular weight of AN-655/14023049 is 494.04 g/mol.
Where can I buy AN-655/14023049?
You can request a quote for AN-655/14023049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14023049?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14023049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.