VU0604952-1
TL;DR: VU0604952-1 (CAS 844455-01-2) is a chemical compound with molecular formula C22H17N5O2S2 and molecular weight 447.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)sulfonyl-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
Also Known As: VU0604952-1, SBI-0244045.0001, F3225-5671, (E)-N1-(thiophen-2-ylmethylene)-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine, (1E)-3-(3-methylbenzenesulfonyl)-N1-[(thiophen-2-yl)methylidene]-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine
| Molecular Formula | C22H17N5O2S2 |
|---|---|
| Molecular Weight | 447.08 g/mol |
| LogP | 4.25162 |
| Topological Polar Surface Area | 103.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.08237 |
| Heavy Atoms | 31 |
| Complexity | 1568.8754 |
Chemical Identifiers
| CAS Number | 844455-01-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)/N=C/C5=CC=CS5)N |
Product Overview
VU0604952-1 (CAS 844455-01-2), with molecular formula C22H17N5O2S2 and molecular weight 447.08 g/mol. IUPAC: 3-(3-methylphenyl)sulfonyl-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine.
Chemical Property Profile of VU0604952-1
Property Insights of VU0604952-1
The XLogP value of 4.25162 indicates that VU0604952-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.23 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0604952-1. Following Lipinski's Rule of Five, VU0604952-1 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 VU0604952-1?
The CAS number of VU0604952-1 is 844455-01-2.
What is the molecular formula of VU0604952-1?
The molecular formula of VU0604952-1 is C22H17N5O2S2.
What is the molecular weight of VU0604952-1?
The molecular weight of VU0604952-1 is 447.08 g/mol.
Where can I buy VU0604952-1?
You can request a quote for VU0604952-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0604952-1?
Yes, KEHONG BIO provides custom synthesis services for VU0604952-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.