AN-655/13401001
TL;DR: AN-655/13401001 (CAS 353517-79-0) is a chemical compound with molecular formula C24H19N5O5S and molecular weight 489.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/13401001, 1-[6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-{6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone, 7-acetyl-6-(5-{4-nitro-2-methylphenyl}-2-furyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C24H19N5O5S |
|---|---|
| Molecular Weight | 489.11 g/mol |
| LogP | 5.18122 |
| Topological Polar Surface Area | 124.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.1107 |
| Heavy Atoms | 35 |
| Complexity | 1470.4478 |
Chemical Identifiers
| CAS Number | 353517-79-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SC)C(=O)C |
Product Overview
AN-655/13401001 (CAS 353517-79-0), with molecular formula C24H19N5O5S and molecular weight 489.11 g/mol. IUPAC: 1-[6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/13401001
Property Insights of AN-655/13401001
The XLogP value of 5.18122 indicates that AN-655/13401001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13401001. Following Lipinski's Rule of Five, AN-655/13401001 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/13401001?
The CAS number of AN-655/13401001 is 353517-79-0.
What is the molecular formula of AN-655/13401001?
The molecular formula of AN-655/13401001 is C24H19N5O5S.
What is the molecular weight of AN-655/13401001?
The molecular weight of AN-655/13401001 is 489.11 g/mol.
Where can I buy AN-655/13401001?
You can request a quote for AN-655/13401001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13401001?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13401001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.