CID 112624
TL;DR: CID 112624 (CAS 63149-42-8) is a chemical compound with molecular formula C35H34N6O3S and molecular weight 618.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,3-bis(prop-2-enyl)imidazo[4,5-b]quinoxalin-3-ium;4-methylbenzenesulfonate
Also Known As: 1H-Imidazo(4,5-b)quinoxalinium, 2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethenyl)-1,3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1), 1H-Imidazo(4,5-b)quinoxalinium, 2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethenyl)-1,3-di-2-propenyl-, salt with 4-methylbenzenesulfonic acid (1:1), 2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,3-bis(prop-2-enyl)imidazo[4,5-b]quinoxalin-3-ium; 4-methylbenzenesulfonate
| Molecular Formula | C35H34N6O3S |
|---|---|
| Molecular Weight | 618.24 g/mol |
| LogP | 6.12 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 618.24133 |
| Heavy Atoms | 45 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 63149-42-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC3=[N+](C4=NC5=CC=CC=C5N=C4N3CC=C)CC=C |
| InChIKey | OCDWOFLKWGCSOC-UHFFFAOYSA-M |
Product Overview
CID 112624 (CAS 63149-42-8), with molecular formula C35H34N6O3S and molecular weight 618.24 g/mol. IUPAC: 2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,3-bis(prop-2-enyl)imidazo[4,5-b]quinoxalin-3-ium;4-methylbenzenesulfonate.
Chemical Property Profile of CID 112624
Property Insights of CID 112624
The XLogP value of 6.12 indicates that CID 112624 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 112624. Following Lipinski's Rule of Five, CID 112624 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 CID 112624?
The CAS number of CID 112624 is 63149-42-8.
What is the molecular formula of CID 112624?
The molecular formula of CID 112624 is C35H34N6O3S.
What is the molecular weight of CID 112624?
The molecular weight of CID 112624 is 618.24 g/mol.
Where can I buy CID 112624?
You can request a quote for CID 112624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 112624?
Yes, KEHONG BIO provides custom synthesis services for CID 112624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.