![[4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate structure](/static/products/102/1022587-48-9.png)
[4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate
TL;DR: [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate (CAS 1022587-48-9) is a chemical compound with molecular formula C30H21ClN2O5 and molecular weight 524.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[5-(3-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate
Also Known As: [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate|[4-[5-(3-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate|4-(5-(3-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate|4-[5-(3-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
| Molecular Formula | C30H21ClN2O5 |
|---|---|
| Molecular Weight | 524.11 g/mol |
| LogP | 5.6103 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.1139 |
| Heavy Atoms | 38 |
| Complexity | 1510.9365 |
Chemical Identifiers
| CAS Number | 1022587-48-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)Cl)ON3C6=CC=CC=C6 |
Product Overview
[4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate (CAS 1022587-48-9), with molecular formula C30H21ClN2O5 and molecular weight 524.11 g/mol. IUPAC: [4-[5-(3-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate.
Chemical Property Profile of [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate
Property Insights of [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate
The XLogP value of 5.6103 indicates that [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] 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 [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate. Following Lipinski's Rule of Five, [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
The CAS number of [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate is 1022587-48-9.
What is the molecular formula of [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
The molecular formula of [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate is C30H21ClN2O5.
What is the molecular weight of [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
The molecular weight of [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate is 524.11 g/mol.
Where can I buy [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
You can request a quote for [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-(3-chlorophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.