AN-655/14573031
TL;DR: AN-655/14573031 (CAS 354781-22-9) is a chemical compound with molecular formula C21H19FN4OS and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methylsulfanyl]spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclopentane]
Also Known As: AN-655/14573031, 3-[(2-fluorophenyl)methylsulfanyl]spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclopentane], 3-[(2-fluorobenzyl)sulfanyl]-6,7-dihydrospiro[{1,2,4}triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclopentane], 3'-[(2-fluorobenzyl)sulfanyl]-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine], 3'-[(2-fluorobenzyl)thio]-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
| Molecular Formula | C21H19FN4OS |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 5.0446 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.12637 |
| Heavy Atoms | 28 |
| Complexity | 1022.79236 |
Chemical Identifiers
| CAS Number | 354781-22-9 |
|---|---|
| SMILES | C1CCC2(C1)NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5F |
Product Overview
AN-655/14573031 (CAS 354781-22-9), with molecular formula C21H19FN4OS and molecular weight 394.13 g/mol. IUPAC: 3-[(2-fluorophenyl)methylsulfanyl]spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclopentane].
Chemical Property Profile of AN-655/14573031
Property Insights of AN-655/14573031
The XLogP value of 5.0446 indicates that AN-655/14573031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, AN-655/14573031 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-655/14573031 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/14573031?
The CAS number of AN-655/14573031 is 354781-22-9.
What is the molecular formula of AN-655/14573031?
The molecular formula of AN-655/14573031 is C21H19FN4OS.
What is the molecular weight of AN-655/14573031?
The molecular weight of AN-655/14573031 is 394.13 g/mol.
Where can I buy AN-655/14573031?
You can request a quote for AN-655/14573031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14573031?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14573031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.