AN-655/14573001
TL;DR: AN-655/14573001 (CAS 354780-54-4) is a chemical compound with molecular formula C28H21FN4O2S and molecular weight 496.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methylsulfanyl]-6-(4-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/14573001, 3-[(2-fluorophenyl)methylsulfanyl]-6-(4-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 4-{3-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-1-naphthyl methyl ether
| Molecular Formula | C28H21FN4O2S |
|---|---|
| Molecular Weight | 496.14 g/mol |
| LogP | 6.6349 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.13693 |
| Heavy Atoms | 36 |
| Complexity | 1579.0939 |
Chemical Identifiers
| CAS Number | 354780-54-4 |
|---|---|
| SMILES | COC1=CC=C(C2=CC=CC=C21)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=CC=C6F |
Product Overview
AN-655/14573001 (CAS 354780-54-4), with molecular formula C28H21FN4O2S and molecular weight 496.14 g/mol. IUPAC: 3-[(2-fluorophenyl)methylsulfanyl]-6-(4-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/14573001
Property Insights of AN-655/14573001
The XLogP value of 6.6349 indicates that AN-655/14573001 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-655/14573001. Following Lipinski's Rule of Five, AN-655/14573001 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-655/14573001?
The CAS number of AN-655/14573001 is 354780-54-4.
What is the molecular formula of AN-655/14573001?
The molecular formula of AN-655/14573001 is C28H21FN4O2S.
What is the molecular weight of AN-655/14573001?
The molecular weight of AN-655/14573001 is 496.14 g/mol.
Where can I buy AN-655/14573001?
You can request a quote for AN-655/14573001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14573001?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14573001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.