AN-655/13301005
TL;DR: AN-655/13301005 (CAS 428480-44-8) is a chemical compound with molecular formula C27H22N6O2S and molecular weight 494.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-benzylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: AN-655/13301005, 4-(3-benzylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one, 4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methyl-1-phenyl-1H-pyrazol-5-ol, 4-(3-(benzylthio)-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)-3-methyl-1-phenyl-1H-pyrazol-5-ol
| Molecular Formula | C27H22N6O2S |
|---|---|
| Molecular Weight | 494.15 g/mol |
| LogP | 5.12142 |
| Topological Polar Surface Area | 97.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.1525 |
| Heavy Atoms | 36 |
| Complexity | 1583.4591 |
Chemical Identifiers
| CAS Number | 428480-44-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=CC=C6 |
Product Overview
AN-655/13301005 (CAS 428480-44-8), with molecular formula C27H22N6O2S and molecular weight 494.15 g/mol. IUPAC: 4-(3-benzylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of AN-655/13301005
Property Insights of AN-655/13301005
The XLogP value of 5.12142 indicates that AN-655/13301005 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-655/13301005. Following Lipinski's Rule of Five, AN-655/13301005 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/13301005?
The CAS number of AN-655/13301005 is 428480-44-8.
What is the molecular formula of AN-655/13301005?
The molecular formula of AN-655/13301005 is C27H22N6O2S.
What is the molecular weight of AN-655/13301005?
The molecular weight of AN-655/13301005 is 494.15 g/mol.
Where can I buy AN-655/13301005?
You can request a quote for AN-655/13301005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13301005?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13301005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.