![[4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate structure](/static/products/102/1022657-46-0.png)
[4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate
TL;DR: [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate (CAS 1022657-46-0) is a chemical compound with molecular formula C28H21ClN4O5 and molecular weight 528.12 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]phenyl] 2-methylpyrazole-3-carboxylate
Also Known As: [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate|4-(5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl 1-methyl-1H-pyrazole-5-carboxylate|4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl 1-methyl-1H-pyrazole-5-carboxylate
| Molecular Formula | C28H21ClN4O5 |
|---|---|
| Molecular Weight | 528.12 g/mol |
| LogP | 4.3438 |
| Topological Polar Surface Area | 93.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.12006 |
| Heavy Atoms | 38 |
| Complexity | 1521.1113 |
Chemical Identifiers
| CAS Number | 1022657-46-0 |
|---|---|
| SMILES | CN1C(=CC=N1)C(=O)OC2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)ON3C6=CC=CC=C6 |
Product Overview
[4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate (CAS 1022657-46-0), with molecular formula C28H21ClN4O5 and molecular weight 528.12 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]phenyl] 2-methylpyrazole-3-carboxylate.
Chemical Property Profile of [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate
Property Insights of [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate
The XLogP value of 4.3438 indicates that [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.97 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate. Following Lipinski's Rule of Five, [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate?
The CAS number of [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate is 1022657-46-0.
What is the molecular formula of [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate?
The molecular formula of [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate is C28H21ClN4O5.
What is the molecular weight of [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate?
The molecular weight of [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate is 528.12 g/mol.
Where can I buy [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate?
You can request a quote for [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate 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-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [4-[5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] 2-methylpyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.