AN-655/15120273
TL;DR: AN-655/15120273 (CAS 442647-77-0) is a chemical compound with molecular formula C24H21ClN6O2S and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one
Also Known As: AN-655/15120273, 6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl methyl sulfide, 1-[6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one, 1-[6-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-3-(METHYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-PROPANONE, 1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
| Molecular Formula | C24H21ClN6O2S |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 5.24222 |
| Topological Polar Surface Area | 86.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.11353 |
| Heavy Atoms | 34 |
| Complexity | 1377.3983 |
Chemical Identifiers
| CAS Number | 442647-77-0 |
|---|---|
| SMILES | CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(N(N=C4C)C5=CC=CC=C5)Cl |
Product Overview
AN-655/15120273 (CAS 442647-77-0), with molecular formula C24H21ClN6O2S and molecular weight 492.11 g/mol. IUPAC: 1-[6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one.
Chemical Property Profile of AN-655/15120273
Property Insights of AN-655/15120273
The XLogP value of 5.24222 indicates that AN-655/15120273 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/15120273. Following Lipinski's Rule of Five, AN-655/15120273 has 0 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-655/15120273?
The CAS number of AN-655/15120273 is 442647-77-0.
What is the molecular formula of AN-655/15120273?
The molecular formula of AN-655/15120273 is C24H21ClN6O2S.
What is the molecular weight of AN-655/15120273?
The molecular weight of AN-655/15120273 is 492.11 g/mol.
Where can I buy AN-655/15120273?
You can request a quote for AN-655/15120273 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/15120273?
Yes, KEHONG BIO provides custom synthesis services for AN-655/15120273 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.