ChemDiv2_005121
TL;DR: ChemDiv2_005121 (CAS 573935-11-2) is a chemical compound with molecular formula C23H26N6O4S and molecular weight 482.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol
Also Known As: ChemDiv2_005121, IDI1_003836, A3653/0154932, 2-(4-((2-Methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl)sulfonyl)piperazin-1-yl)ethanol, 2-(4-{[2-methoxy-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonyl}piperazin-1-yl)ethanol
| Molecular Formula | C23H26N6O4S |
|---|---|
| Molecular Weight | 482.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.1736 |
| Heavy Atoms | 34 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 573935-11-2 |
|---|---|
| SMILES | CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCN(CC5)CCO |
| InChIKey | MJPSIRZRJXAONJ-UHFFFAOYSA-N |
Product Overview
ChemDiv2_005121 (CAS 573935-11-2), with molecular formula C23H26N6O4S and molecular weight 482.17 g/mol. IUPAC: 2-[4-[2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol.
Chemical Property Profile of ChemDiv2_005121
Property Insights of ChemDiv2_005121
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005121. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005121. Following Lipinski's Rule of Five, ChemDiv2_005121 has 1 hydrogen bond donor(s) and 9 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 ChemDiv2_005121?
The CAS number of ChemDiv2_005121 is 573935-11-2.
What is the molecular formula of ChemDiv2_005121?
The molecular formula of ChemDiv2_005121 is C23H26N6O4S.
What is the molecular weight of ChemDiv2_005121?
The molecular weight of ChemDiv2_005121 is 482.17 g/mol.
Where can I buy ChemDiv2_005121?
You can request a quote for ChemDiv2_005121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005121?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.