AN-655/14058003
TL;DR: AN-655/14058003 (CAS 354777-80-3) is a chemical compound with molecular formula C22H19N5O6S and molecular weight 481.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(6-nitro-1,3-benzodioxol-5-yl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/14058003, 1-[6-(6-nitro-1,3-benzodioxol-5-yl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[6-(6-nitro-1,3-benzodioxol-5-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 7-acetyl-6-{6-nitro-1,3-benzodioxol-5-yl}-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C22H19N5O6S |
|---|---|
| Molecular Weight | 481.11 g/mol |
| LogP | 4.1217 |
| Topological Polar Surface Area | 129.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.1056 |
| Heavy Atoms | 34 |
| Complexity | 1302.772 |
Chemical Identifiers
| CAS Number | 354777-80-3 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)C)N=N1 |
Product Overview
AN-655/14058003 (CAS 354777-80-3), with molecular formula C22H19N5O6S and molecular weight 481.11 g/mol. IUPAC: 1-[6-(6-nitro-1,3-benzodioxol-5-yl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/14058003
Property Insights of AN-655/14058003
The XLogP value of 4.1217 indicates that AN-655/14058003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/14058003. Following Lipinski's Rule of Five, AN-655/14058003 has 0 hydrogen bond donor(s) and 10 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-655/14058003?
The CAS number of AN-655/14058003 is 354777-80-3.
What is the molecular formula of AN-655/14058003?
The molecular formula of AN-655/14058003 is C22H19N5O6S.
What is the molecular weight of AN-655/14058003?
The molecular weight of AN-655/14058003 is 481.11 g/mol.
Where can I buy AN-655/14058003?
You can request a quote for AN-655/14058003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14058003?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14058003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.