C31H21ClN2O3
TL;DR: C31H21ClN2O3 (CAS 1023802-90-5) is a chemical compound with molecular formula C31H21ClN2O3 and molecular weight 504.12408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-anthracen-9-yl-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(anthracen-9-yl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(anthracen-9-yl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-anthracen-9-yl-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 8-anthracen-9-yl-3-(4-chlorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
Technical Specifications
| Molecular Formula | C31H21ClN2O3 |
| Molecular Weight | 504.12408 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.12408 Da |
| Heavy Atoms | 37 |
| Complexity | 847.0 |
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=C6C=CC=CC6=CC7=CC=CC=C75 |
| InChIKey | XOGFVUWLFDJLNB-UHFFFAOYSA-N |
Chemical Property Profile of C31H21ClN2O3
Property Insights of C31H21ClN2O3
The XLogP value of 7.2 indicates that C31H21ClN2O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, C31H21ClN2O3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H21ClN2O3 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C31H21ClN2O3?
The CAS number of C31H21ClN2O3 is 1023802-90-5.
What is the molecular formula of C31H21ClN2O3?
The molecular formula of C31H21ClN2O3 is C31H21ClN2O3.
What is the molecular weight of C31H21ClN2O3?
The molecular weight of C31H21ClN2O3 is 504.12408 g/mol.
Where can I buy C31H21ClN2O3?
You can request a quote for C31H21ClN2O3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C31H21ClN2O3?
Yes, CoreyChem provides custom synthesis services for C31H21ClN2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.