A3859/0163911
TL;DR: A3859/0163911 (CAS 728026-47-9) is a chemical compound with molecular formula C27H26N6O3S and molecular weight 514.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]sulfonylbenzimidazol-2-one
Also Known As: A3859/0163911, 1,3-dimethyl-5-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]sulfonylbenzimidazol-2-one, 1,3-dimethyl-5-{[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]sulfonyl}-1,3-dihydro-2H-benzimidazol-2-one, 1,3-DIMETHYL-5-{[4-(3-PHENYL-2-QUINOXALINYL)PIPERAZINO]SULFONYL}-1,3-DIHYDRO-2H-1,3-BENZIMIDAZOL-2-ONE
| Molecular Formula | C27H26N6O3S |
|---|---|
| Molecular Weight | 514.18 g/mol |
| LogP | 2.9981 |
| Topological Polar Surface Area | 93.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.1787 |
| Heavy Atoms | 37 |
| Complexity | 1803.3694 |
Chemical Identifiers
| CAS Number | 728026-47-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC=CC=C5N=C4C6=CC=CC=C6)N(C1=O)C |
Product Overview
A3859/0163911 (CAS 728026-47-9), with molecular formula C27H26N6O3S and molecular weight 514.18 g/mol. IUPAC: 1,3-dimethyl-5-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]sulfonylbenzimidazol-2-one.
Chemical Property Profile of A3859/0163911
Property Insights of A3859/0163911
The XLogP value of 2.9981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3859/0163911. The TPSA of 93.33 Ų falls within the moderate polarity range, balancing permeability and solubility for A3859/0163911. Following Lipinski's Rule of Five, A3859/0163911 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3859/0163911?
The CAS number of A3859/0163911 is 728026-47-9.
What is the molecular formula of A3859/0163911?
The molecular formula of A3859/0163911 is C27H26N6O3S.
What is the molecular weight of A3859/0163911?
The molecular weight of A3859/0163911 is 514.18 g/mol.
Where can I buy A3859/0163911?
You can request a quote for A3859/0163911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3859/0163911?
Yes, KEHONG BIO provides custom synthesis services for A3859/0163911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.