J1.859.838H
TL;DR: J1.859.838H (CAS 7231-95-0) is a chemical compound with molecular formula C22H18N4O6 and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6a-methyl-4,6-dioxo-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl)-3-(4-ethoxyphenyl)oxadiazol-3-ium-5-olate
Also Known As: J1.859.838H, 3-(4-Ethoxyphenyl)-4-(6a-methyl-4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl)-1,2,3-oxadiazol-3-ium-5-olate, 3-(4-Ethoxyphenyl)-4-(4,6-dioxo-5-phenyl-6a-methyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-yl)-5-oxylato-1,2,3-oxadiazole-3-ium, 4-(6a-methyl-4,6-dioxo-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl)-3-(4-ethoxyphenyl)oxadiazol-3-ium-5-olate, 4-{6a-methyl-4,6-dioxo-5-phenyl-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazol-3-yl}-3-(4-ethoxyphenyl)-1,2,3lambda5-oxadiazol-3-ylium-5-olate
| Molecular Formula | C22H18N4O6 |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 1.1062 |
| Topological Polar Surface Area | 121.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.12262 |
| Heavy Atoms | 32 |
| Complexity | 1237.0668 |
Chemical Identifiers
| CAS Number | 7231-95-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)[N+]2=NOC(=C2C3=NOC4(C3C(=O)N(C4=O)C5=CC=CC=C5)C)[O-] |
Product Overview
J1.859.838H (CAS 7231-95-0), with molecular formula C22H18N4O6 and molecular weight 434.12 g/mol. IUPAC: 4-(6a-methyl-4,6-dioxo-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl)-3-(4-ethoxyphenyl)oxadiazol-3-ium-5-olate.
Chemical Property Profile of J1.859.838H
Property Insights of J1.859.838H
The XLogP value of 1.1062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.859.838H. The TPSA of 121.17 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.859.838H. Following Lipinski's Rule of Five, J1.859.838H has 0 hydrogen bond donor(s) and 8 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 J1.859.838H?
The CAS number of J1.859.838H is 7231-95-0.
What is the molecular formula of J1.859.838H?
The molecular formula of J1.859.838H is C22H18N4O6.
What is the molecular weight of J1.859.838H?
The molecular weight of J1.859.838H is 434.12 g/mol.
Where can I buy J1.859.838H?
You can request a quote for J1.859.838H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.859.838H?
Yes, KEHONG BIO provides custom synthesis services for J1.859.838H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.