CID 117691
TL;DR: CID 117691 (CAS 25980-23-8) is a chemical compound with molecular formula C23H25N4O3S- and molecular weight 437.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;2-methyl-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline
Also Known As: 4-methylbenzenesulfonate; 2-methyl-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline, 1H-Imidazo(4,5-b)quinoxalinium, 2-methyl-1,3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1), 1H-Imidazo(4,5-b)quinoxalinium, 2-methyl-1,3-di-2-propenyl-, salt with 4-methylbenzenesulfonic acid (1:1)
| Molecular Formula | C23H25N4O3S- |
|---|---|
| Molecular Weight | 437.16 g/mol |
| LogP | 3.87 |
| Topological Polar Surface Area | 97.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.16473 |
| Heavy Atoms | 31 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 25980-23-8 |
|---|---|
| SMILES | CC1N(C2=NC3=CC=CC=C3N=C2N1CC=C)CC=C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | SVTUCCBYNLVVAY-UHFFFAOYSA-M |
Product Overview
CID 117691 (CAS 25980-23-8), with molecular formula C23H25N4O3S- and molecular weight 437.16 g/mol. IUPAC: 4-methylbenzenesulfonate;2-methyl-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxaline.
Chemical Property Profile of CID 117691
Property Insights of CID 117691
The XLogP value of 3.87 indicates that CID 117691 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 117691. Following Lipinski's Rule of Five, CID 117691 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 CID 117691?
The CAS number of CID 117691 is 25980-23-8.
What is the molecular formula of CID 117691?
The molecular formula of CID 117691 is C23H25N4O3S-.
What is the molecular weight of CID 117691?
The molecular weight of CID 117691 is 437.16 g/mol.
Where can I buy CID 117691?
You can request a quote for CID 117691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 117691?
Yes, KEHONG BIO provides custom synthesis services for CID 117691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.