AN-655/12873074
TL;DR: AN-655/12873074 (CAS 353516-88-8) is a chemical compound with molecular formula C20H14BrN5O2S and molecular weight 467.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3'-prop-2-enylsulfanylspiro[1H-indole-3,6'-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-one
Also Known As: AN-655/12873074, 3'-(allylthio)-5-bromo-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one, 5-bromo-3'-prop-2-enylsulfanylspiro[1H-indole-3,6'-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-one, 3'-(allylsulfanyl)-5-bromo-1,3,6',7'-tetrahydrospiro[2H-indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-one
| Molecular Formula | C20H14BrN5O2S |
|---|---|
| Molecular Weight | 467.01 g/mol |
| LogP | 4.1886 |
| Topological Polar Surface Area | 89.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.00516 |
| Heavy Atoms | 29 |
| Complexity | 1171.3585 |
Chemical Identifiers
| CAS Number | 353516-88-8 |
|---|---|
| SMILES | C=CCSC1=NC2=C(C3=CC=CC=C3NC4(O2)C5=C(C=CC(=C5)Br)NC4=O)N=N1 |
Product Overview
AN-655/12873074 (CAS 353516-88-8), with molecular formula C20H14BrN5O2S and molecular weight 467.01 g/mol. IUPAC: 5-bromo-3'-prop-2-enylsulfanylspiro[1H-indole-3,6'-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]-2-one.
Chemical Property Profile of AN-655/12873074
Property Insights of AN-655/12873074
The XLogP value of 4.1886 indicates that AN-655/12873074 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/12873074. Following Lipinski's Rule of Five, AN-655/12873074 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/12873074?
The CAS number of AN-655/12873074 is 353516-88-8.
What is the molecular formula of AN-655/12873074?
The molecular formula of AN-655/12873074 is C20H14BrN5O2S.
What is the molecular weight of AN-655/12873074?
The molecular weight of AN-655/12873074 is 467.01 g/mol.
Where can I buy AN-655/12873074?
You can request a quote for AN-655/12873074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/12873074?
Yes, KEHONG BIO provides custom synthesis services for AN-655/12873074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.