![4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile structure](/static/products/102/1024231-82-0.png)
4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile
TL;DR: 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile (CAS 1024231-82-0) is a chemical compound with molecular formula C24H16ClN3O3 and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzonitrile
Also Known As: 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile, 4-[3-(4-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]benzonitrile, 4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzonitrile, 4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzonitrile
| Molecular Formula | C24H16ClN3O3 |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 4.26278 |
| Topological Polar Surface Area | 73.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.088 |
| Heavy Atoms | 31 |
| Complexity | 1189.4941 |
Chemical Identifiers
| CAS Number | 1024231-82-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)C#N |
Product Overview
4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile (CAS 1024231-82-0), with molecular formula C24H16ClN3O3 and molecular weight 429.09 g/mol. IUPAC: 4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzonitrile.
Chemical Property Profile of 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile
Property Insights of 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile
The XLogP value of 4.26278 indicates that 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile has 0 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 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile?
The CAS number of 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile is 1024231-82-0.
What is the molecular formula of 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile?
The molecular formula of 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile is C24H16ClN3O3.
What is the molecular weight of 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile?
The molecular weight of 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile is 429.09 g/mol.
Where can I buy 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile?
You can request a quote for 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.