RefChem:178351
TL;DR: RefChem:178351 (CAS 28766-22-5) is a chemical compound with molecular formula C21H24ClN3 and molecular weight 353.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2,3-dihydro-1H-quinoxalin-4-ium chloride
Also Known As: Quinoxalinium, 1-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1,2,3,4-tetrahydro-, chloride, 1,3,3-Trimethyl-2-(2-(1,2,3,4-tetrahydro-1-quinoxalinyl)vinyl)-3H-indolium, chloride, Quinoxalinium, 1-((1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-1,2,3,4-tetrahydro-, chloride, Quinoxalinium, 1-(2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-1,2,3,4-tetrahydro-, chloride (1:1), 3H-Indolium, 2-[2-(3,4-dihydro-1(2H)-quinoxalinyl)vinyl]-1,3,3-trimethyl-, chloride
| Molecular Formula | C21H24ClN3 |
|---|---|
| Molecular Weight | 353.17 g/mol |
| LogP | 1.14 |
| Topological Polar Surface Area | 18.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.16586 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 28766-22-5 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C1=CC=[N+]3CCNC4=CC=CC=C43)C)C.[Cl-] |
| InChIKey | VWKNXOVMMDFURP-UHFFFAOYSA-M |
Product Overview
RefChem:178351 (CAS 28766-22-5), with molecular formula C21H24ClN3 and molecular weight 353.17 g/mol. IUPAC: 4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2,3-dihydro-1H-quinoxalin-4-ium chloride.
Chemical Property Profile of RefChem:178351
Property Insights of RefChem:178351
The XLogP value of 1.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:178351. With a topological polar surface area (TPSA) of 18.3 Ų, RefChem:178351 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:178351 has 1 hydrogen bond donor(s) and 3 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 RefChem:178351?
The CAS number of RefChem:178351 is 28766-22-5.
What is the molecular formula of RefChem:178351?
The molecular formula of RefChem:178351 is C21H24ClN3.
What is the molecular weight of RefChem:178351?
The molecular weight of RefChem:178351 is 353.17 g/mol.
Where can I buy RefChem:178351?
You can request a quote for RefChem:178351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:178351?
Yes, KEHONG BIO provides custom synthesis services for RefChem:178351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.