F3J6DJ8LQM
TL;DR: F3J6DJ8LQM (CAS 55203-76-4) is a chemical compound with molecular formula C29H26N2O4S and molecular weight 498.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene]ethylidene]-3-phenyl-1,2-oxazol-5-one
Also Known As: 5(4H)-Isoxazolone, 4-((1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)ethylidene)-3-phenyl-, 5(4H)-Isoxazolone, 4-(2-(1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)ethylidene)-3-phenyl-, 4-((1-Ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)ethylidene)-3-phenyl-5(4H)-isoxazolone, 4-(2-(5-(Benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene)-3-phenyl-1,2-oxazol-5-one, 4-[2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene]ethylidene]-3-phenyl-1,2-oxazol-5-one
| Molecular Formula | C29H26N2O4S |
|---|---|
| Molecular Weight | 498.16 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.16132 |
| Heavy Atoms | 36 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 55203-76-4 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C(C1=CC=C4C(=NOC4=O)C5=CC=CC=C5)(C)C |
| InChIKey | VTOYKNCNUVPKGD-UHFFFAOYSA-N |
Product Overview
F3J6DJ8LQM (CAS 55203-76-4), with molecular formula C29H26N2O4S and molecular weight 498.16 g/mol. IUPAC: 4-[2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene]ethylidene]-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of F3J6DJ8LQM
Property Insights of F3J6DJ8LQM
The XLogP value of 6.4 indicates that F3J6DJ8LQM is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for F3J6DJ8LQM. Following Lipinski's Rule of Five, F3J6DJ8LQM 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 F3J6DJ8LQM?
The CAS number of F3J6DJ8LQM is 55203-76-4.
What is the molecular formula of F3J6DJ8LQM?
The molecular formula of F3J6DJ8LQM is C29H26N2O4S.
What is the molecular weight of F3J6DJ8LQM?
The molecular weight of F3J6DJ8LQM is 498.16 g/mol.
Where can I buy F3J6DJ8LQM?
You can request a quote for F3J6DJ8LQM directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3J6DJ8LQM?
Yes, KEHONG BIO provides custom synthesis services for F3J6DJ8LQM and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.