AN-655/12947055
TL;DR: AN-655/12947055 (CAS 426235-54-3) is a chemical compound with molecular formula C24H20N4O2S and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxynaphthalen-1-yl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/12947055, 6-(4-methoxynaphthalen-1-yl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(allylthio)-6-(4-methoxy-1-naphthyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-(4-Methoxynaphthalen-1-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C24H20N4O2S |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 5.4816 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.1307 |
| Heavy Atoms | 31 |
| Complexity | 1277.6517 |
Chemical Identifiers
| CAS Number | 426235-54-3 |
|---|---|
| SMILES | COC1=CC=C(C2=CC=CC=C21)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC=C |
Product Overview
AN-655/12947055 (CAS 426235-54-3), with molecular formula C24H20N4O2S and molecular weight 428.13 g/mol. IUPAC: 6-(4-methoxynaphthalen-1-yl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/12947055
Property Insights of AN-655/12947055
The XLogP value of 5.4816 indicates that AN-655/12947055 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-655/12947055. Following Lipinski's Rule of Five, AN-655/12947055 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-655/12947055?
The CAS number of AN-655/12947055 is 426235-54-3.
What is the molecular formula of AN-655/12947055?
The molecular formula of AN-655/12947055 is C24H20N4O2S.
What is the molecular weight of AN-655/12947055?
The molecular weight of AN-655/12947055 is 428.13 g/mol.
Where can I buy AN-655/12947055?
You can request a quote for AN-655/12947055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/12947055?
Yes, KEHONG BIO provides custom synthesis services for AN-655/12947055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.