A3859/0163912
TL;DR: A3859/0163912 (CAS 728026-48-0) is a chemical compound with molecular formula C29H29N5O4S and molecular weight 543.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
Also Known As: A3859/0163912, methyl 6-{[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]sulfonyl}-3,4-dihydroquinoline-1(2H)-carboxylate, methyl 6-((4-(3-phenylquinoxalin-2-yl)piperazin-1-yl)sulfonyl)-3,4-dihydroquinoline-1(2H)-carboxylate, methyl 6-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate, METHYL 6-{[4-(3-PHENYL-2-QUINOXALINYL)PIPERAZINO]SULFONYL}-3,4-DIHYDRO-1(2H)-QUINOLINECARBOXYLATE
| Molecular Formula | C29H29N5O4S |
|---|---|
| Molecular Weight | 543.19 g/mol |
| LogP | 4.3267 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 543.19403 |
| Heavy Atoms | 39 |
| Complexity | 1636.5795 |
Chemical Identifiers
| CAS Number | 728026-48-0 |
|---|---|
| SMILES | COC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC=CC=C5N=C4C6=CC=CC=C6 |
Product Overview
A3859/0163912 (CAS 728026-48-0), with molecular formula C29H29N5O4S and molecular weight 543.19 g/mol. IUPAC: methyl 6-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate.
Chemical Property Profile of A3859/0163912
Property Insights of A3859/0163912
The XLogP value of 4.3267 indicates that A3859/0163912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for A3859/0163912. Following Lipinski's Rule of Five, A3859/0163912 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 A3859/0163912?
The CAS number of A3859/0163912 is 728026-48-0.
What is the molecular formula of A3859/0163912?
The molecular formula of A3859/0163912 is C29H29N5O4S.
What is the molecular weight of A3859/0163912?
The molecular weight of A3859/0163912 is 543.19 g/mol.
Where can I buy A3859/0163912?
You can request a quote for A3859/0163912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3859/0163912?
Yes, KEHONG BIO provides custom synthesis services for A3859/0163912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.