![methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate structure](/static/products/1024/1024250-88-1.webp)
methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
TL;DR: methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate (CAS 1024250-88-1) is a chemical compound with molecular formula C25H18Cl2N2O5 and molecular weight 496.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
Also Known As: methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate, methyl 4-(5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate, Methyl 4-[3-(3,4-dichlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]benzoate, methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
| Molecular Formula | C25H18Cl2N2O5 |
|---|---|
| Molecular Weight | 496.06 g/mol |
| LogP | 4.8311 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.05927 |
| Heavy Atoms | 34 |
| Complexity | 1282.2233 |
Chemical Identifiers
| CAS Number | 1024250-88-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)ON2C5=CC=CC=C5 |
Product Overview
methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate (CAS 1024250-88-1), with molecular formula C25H18Cl2N2O5 and molecular weight 496.06 g/mol. IUPAC: methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate.
Chemical Property Profile of methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
Property Insights of methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
The XLogP value of 4.8311 indicates that methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate has 0 hydrogen bond donor(s) and 6 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 methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate?
The CAS number of methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate is 1024250-88-1.
What is the molecular formula of methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate?
The molecular formula of methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate is C25H18Cl2N2O5.
What is the molecular weight of methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate?
The molecular weight of methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate is 496.06 g/mol.
Where can I buy methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate?
You can request a quote for methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.