Cox-2-IN-18
TL;DR: Cox-2-IN-18 (CAS 1038061-96-9) is a chemical compound with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide
Also Known As: COX-2-IN-18, 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide
| Molecular Formula | C18H19N3O3S2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 2.3986 |
| Topological Polar Surface Area | 95.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.0868 |
| Heavy Atoms | 26 |
| Complexity | 1090.8596 |
Chemical Identifiers
| CAS Number | 1038061-96-9 |
|---|---|
| SMILES | CCSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
Cox-2-IN-18 (CAS 1038061-96-9), with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol. IUPAC: 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide.
Chemical Property Profile of Cox-2-IN-18
Property Insights of Cox-2-IN-18
The XLogP value of 2.3986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cox-2-IN-18. The TPSA of 95.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Cox-2-IN-18. Following Lipinski's Rule of Five, Cox-2-IN-18 has 1 hydrogen bond donor(s) and 5 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 Cox-2-IN-18?
The CAS number of Cox-2-IN-18 is 1038061-96-9.
What is the molecular formula of Cox-2-IN-18?
The molecular formula of Cox-2-IN-18 is C18H19N3O3S2.
What is the molecular weight of Cox-2-IN-18?
The molecular weight of Cox-2-IN-18 is 389.09 g/mol.
Where can I buy Cox-2-IN-18?
You can request a quote for Cox-2-IN-18 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cox-2-IN-18?
Yes, KEHONG BIO provides custom synthesis services for Cox-2-IN-18 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.