AB01305600-01
TL;DR: AB01305600-01 (CAS 843671-52-3) is a chemical compound with molecular formula C27H25N5O2S and molecular weight 483.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
Also Known As: AB01305600-01, [(3-methylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile, 2-(3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl)-2-(m-tolylsulfonyl)acetonitrile, 2-(3-methylphenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
| Molecular Formula | C27H25N5O2S |
|---|---|
| Molecular Weight | 483.17 g/mol |
| LogP | 4.3034 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.17288 |
| Heavy Atoms | 35 |
| Complexity | 1507.8901 |
Chemical Identifiers
| CAS Number | 843671-52-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=C5 |
Product Overview
AB01305600-01 (CAS 843671-52-3), with molecular formula C27H25N5O2S and molecular weight 483.17 g/mol. IUPAC: 2-(3-methylphenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile.
Chemical Property Profile of AB01305600-01
Property Insights of AB01305600-01
The XLogP value of 4.3034 indicates that AB01305600-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01305600-01. Following Lipinski's Rule of Five, AB01305600-01 has 0 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 AB01305600-01?
The CAS number of AB01305600-01 is 843671-52-3.
What is the molecular formula of AB01305600-01?
The molecular formula of AB01305600-01 is C27H25N5O2S.
What is the molecular weight of AB01305600-01?
The molecular weight of AB01305600-01 is 483.17 g/mol.
Where can I buy AB01305600-01?
You can request a quote for AB01305600-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305600-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305600-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.