AN-655/40687738
TL;DR: AN-655/40687738 (CAS 486994-83-6) is a chemical compound with molecular formula C28H20N4O2S and molecular weight 476.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylsulfanyl-6-naphthalen-1-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)-phenylmethanone
Also Known As: AN-655/40687738, 7-benzoyl-3-(methylsulfanyl)-6-(1-naphthyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, (3-methylsulfanyl-6-naphthalen-1-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)-phenylmethanone, [3-(methylsulfanyl)-6-(naphthalen-1-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
| Molecular Formula | C28H20N4O2S |
|---|---|
| Molecular Weight | 476.13 g/mol |
| LogP | 6.1517 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.1307 |
| Heavy Atoms | 35 |
| Complexity | 1552.5114 |
Chemical Identifiers
| CAS Number | 486994-83-6 |
|---|---|
| SMILES | CSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC5=CC=CC=C54)C(=O)C6=CC=CC=C6)N=N1 |
Product Overview
AN-655/40687738 (CAS 486994-83-6), with molecular formula C28H20N4O2S and molecular weight 476.13 g/mol. IUPAC: (3-methylsulfanyl-6-naphthalen-1-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)-phenylmethanone.
Chemical Property Profile of AN-655/40687738
Property Insights of AN-655/40687738
The XLogP value of 6.1517 indicates that AN-655/40687738 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/40687738. Following Lipinski's Rule of Five, AN-655/40687738 has 0 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-655/40687738?
The CAS number of AN-655/40687738 is 486994-83-6.
What is the molecular formula of AN-655/40687738?
The molecular formula of AN-655/40687738 is C28H20N4O2S.
What is the molecular weight of AN-655/40687738?
The molecular weight of AN-655/40687738 is 476.13 g/mol.
Where can I buy AN-655/40687738?
You can request a quote for AN-655/40687738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/40687738?
Yes, KEHONG BIO provides custom synthesis services for AN-655/40687738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.