C31H23ClN2O5
TL;DR: C31H23ClN2O5 (CAS 1024379-12-1) is a chemical compound with molecular formula C31H23ClN2O5 and molecular weight 538.1296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[5-benzyl-2-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate
Also Known As: [4-[3-benzyl-7-(4-chlorophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate|[4-[5-benzyl-2-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate|4-(5-benzyl-2-(4-chlorophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate|4-[5-benzyl-2-(4-chlorophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate|C31H23ClN2O5|STL344453
Technical Specifications
| Molecular Formula | C31H23ClN2O5 |
| Molecular Weight | 538.1296 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.1296 Da |
| Heavy Atoms | 39 |
| Complexity | 887.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | NEYCANGHEAMVIA-UHFFFAOYSA-N |
Chemical Property Profile of C31H23ClN2O5
Property Insights of C31H23ClN2O5
The XLogP value of 6.0 indicates that C31H23ClN2O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C31H23ClN2O5. Following Lipinski's Rule of Five, C31H23ClN2O5 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C31H23ClN2O5?
The CAS number of C31H23ClN2O5 is 1024379-12-1.
What is the molecular formula of C31H23ClN2O5?
The molecular formula of C31H23ClN2O5 is C31H23ClN2O5.
What is the molecular weight of C31H23ClN2O5?
The molecular weight of C31H23ClN2O5 is 538.1296 g/mol.
Where can I buy C31H23ClN2O5?
You can request a quote for C31H23ClN2O5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C31H23ClN2O5?
Yes, CoreyChem provides custom synthesis services for C31H23ClN2O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.