AN-655/14023026
TL;DR: AN-655/14023026 (CAS 354777-36-9) is a chemical compound with molecular formula C21H21BrN4O3S and molecular weight 488.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-bromo-6-(3-ethoxy-2-methoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/14023026, 10-bromo-6-(3-ethoxy-2-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 10-bromo-6-(3-ethoxy-2-methoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C21H21BrN4O3S |
|---|---|
| Molecular Weight | 488.05 g/mol |
| LogP | 5.3235 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.05176 |
| Heavy Atoms | 30 |
| Complexity | 1066.4166 |
Chemical Identifiers
| CAS Number | 354777-36-9 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1OC)C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SCC |
Product Overview
AN-655/14023026 (CAS 354777-36-9), with molecular formula C21H21BrN4O3S and molecular weight 488.05 g/mol. IUPAC: 10-bromo-6-(3-ethoxy-2-methoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/14023026
Property Insights of AN-655/14023026
The XLogP value of 5.3235 indicates that AN-655/14023026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/14023026. Following Lipinski's Rule of Five, AN-655/14023026 has 1 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-655/14023026?
The CAS number of AN-655/14023026 is 354777-36-9.
What is the molecular formula of AN-655/14023026?
The molecular formula of AN-655/14023026 is C21H21BrN4O3S.
What is the molecular weight of AN-655/14023026?
The molecular weight of AN-655/14023026 is 488.05 g/mol.
Where can I buy AN-655/14023026?
You can request a quote for AN-655/14023026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14023026?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14023026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.