A3653/0154931
TL;DR: A3653/0154931 (CAS 697245-23-1) is a chemical compound with molecular formula C23H26N6O3S and molecular weight 466.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol
Also Known As: A3653/0154931, 2-[4-[2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol, 2-(4-((2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl)sulfonyl)piperazin-1-yl)ethanol, 2-(4-{[2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonyl}-1-piperazinyl)ethanol, 2-(4-{[2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonyl}piperazin-1-yl)ethanol
| Molecular Formula | C23H26N6O3S |
|---|---|
| Molecular Weight | 466.18 g/mol |
| LogP | 1.85994 |
| Topological Polar Surface Area | 103.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.1787 |
| Heavy Atoms | 33 |
| Complexity | 1441.6388 |
Chemical Identifiers
| CAS Number | 697245-23-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)S(=O)(=O)N5CCN(CC5)CCO |
Product Overview
A3653/0154931 (CAS 697245-23-1), with molecular formula C23H26N6O3S and molecular weight 466.18 g/mol. IUPAC: 2-[4-[2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol.
Chemical Property Profile of A3653/0154931
Property Insights of A3653/0154931
The XLogP value of 1.85994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3653/0154931. The TPSA of 103.93 Ų falls within the moderate polarity range, balancing permeability and solubility for A3653/0154931. Following Lipinski's Rule of Five, A3653/0154931 has 1 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 A3653/0154931?
The CAS number of A3653/0154931 is 697245-23-1.
What is the molecular formula of A3653/0154931?
The molecular formula of A3653/0154931 is C23H26N6O3S.
What is the molecular weight of A3653/0154931?
The molecular weight of A3653/0154931 is 466.18 g/mol.
Where can I buy A3653/0154931?
You can request a quote for A3653/0154931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3653/0154931?
Yes, KEHONG BIO provides custom synthesis services for A3653/0154931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.