![4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid structure](/static/products/102/1022122-90-2.png)
4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid
TL;DR: 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid (CAS 1022122-90-2) is a chemical compound with molecular formula C25H20N2O5 and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-benzyl-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl)benzoic acid
Also Known As: 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid, 4-(5-benzyl-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)benzoic acid, 4-(5-benzyl-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid, 4-(5-benzyl-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl)benzoic acid
| Molecular Formula | C25H20N2O5 |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 3.4315 |
| Topological Polar Surface Area | 87.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.1372 |
| Heavy Atoms | 32 |
| Complexity | 1163.9563 |
Chemical Identifiers
| CAS Number | 1022122-90-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)O |
Product Overview
4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid (CAS 1022122-90-2), with molecular formula C25H20N2O5 and molecular weight 428.14 g/mol. IUPAC: 4-(5-benzyl-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl)benzoic acid.
Chemical Property Profile of 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid
Property Insights of 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid
The XLogP value of 3.4315 indicates that 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid. Following Lipinski's Rule of Five, 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid has 1 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-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid?
The CAS number of 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid is 1022122-90-2.
What is the molecular formula of 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid?
The molecular formula of 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid is C25H20N2O5.
What is the molecular weight of 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid?
The molecular weight of 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid is 428.14 g/mol.
Where can I buy 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid?
You can request a quote for 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-benzyl-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.