![3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione structure](/static/products/102/1024554-05-9.png)
3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
TL;DR: 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1024554-05-9) is a chemical compound with molecular formula C23H16ClFN2O3 and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-3-(2-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-(4-chlorophenyl)-3-(2-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-chlorophenyl)-3-(2-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-chlorophenyl)-3-(2-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C23H16ClFN2O3 |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 4.5302 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.08334 |
| Heavy Atoms | 30 |
| Complexity | 1122.8069 |
Chemical Identifiers
| CAS Number | 1024554-05-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5F |
Product Overview
3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1024554-05-9), with molecular formula C23H16ClFN2O3 and molecular weight 422.08 g/mol. IUPAC: 5-(4-chlorophenyl)-3-(2-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
Property Insights of 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
The XLogP value of 4.5302 indicates that 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione has 0 hydrogen bond donor(s) and 4 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 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The CAS number of 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1024554-05-9.
What is the molecular formula of 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular formula of 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C23H16ClFN2O3.
What is the molecular weight of 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular weight of 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 422.08 g/mol.
Where can I buy 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
You can request a quote for 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-8-(2-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.