AN-655/37273007
TL;DR: AN-655/37273007 (CAS 428480-34-6) is a chemical compound with molecular formula C23H20N6O2S and molecular weight 444.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-4-(3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-1H-pyrazol-3-one
Also Known As: AN-655/37273007, 4-[3-(allylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methyl-1-phenyl-1H-pyrazol-5-ol, 5-methyl-2-phenyl-4-(3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-1H-pyrazol-3-one, 4-(3-(allylthio)-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)-3-methyl-1-phenyl-1H-pyrazol-5-ol, 4-[3-(allylthio)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methyl-1-phenyl-1H-pyrazol-5-ol
| Molecular Formula | C23H20N6O2S |
|---|---|
| Molecular Weight | 444.14 g/mol |
| LogP | 4.10722 |
| Topological Polar Surface Area | 97.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.13684 |
| Heavy Atoms | 32 |
| Complexity | 1348.3563 |
Chemical Identifiers
| CAS Number | 428480-34-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC=C |
Product Overview
AN-655/37273007 (CAS 428480-34-6), with molecular formula C23H20N6O2S and molecular weight 444.14 g/mol. IUPAC: 5-methyl-2-phenyl-4-(3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-1H-pyrazol-3-one.
Chemical Property Profile of AN-655/37273007
Property Insights of AN-655/37273007
The XLogP value of 4.10722 indicates that AN-655/37273007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/37273007. Following Lipinski's Rule of Five, AN-655/37273007 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-655/37273007?
The CAS number of AN-655/37273007 is 428480-34-6.
What is the molecular formula of AN-655/37273007?
The molecular formula of AN-655/37273007 is C23H20N6O2S.
What is the molecular weight of AN-655/37273007?
The molecular weight of AN-655/37273007 is 444.14 g/mol.
Where can I buy AN-655/37273007?
You can request a quote for AN-655/37273007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/37273007?
Yes, KEHONG BIO provides custom synthesis services for AN-655/37273007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.