C22H18ClNO4
TL;DR: C22H18ClNO4 (CAS 1212280-65-3) is a chemical compound with molecular formula C22H18ClNO4 and molecular weight 395.09244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 3-(4-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: AM-760/41771175, benzyl 2-(4-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, benzyl 3-(4-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate, phenylmethyl 3-(4-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0<1,5>]dec-8- ene-6-carboxylate
Technical Specifications
| Molecular Formula | C22H18ClNO4 |
| Molecular Weight | 395.09244 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.09244 Da |
| Heavy Atoms | 28 |
| Complexity | 667.0 |
| SMILES | C1C23C=CC(O2)C(C3C(=O)N1C4=CC=C(C=C4)Cl)C(=O)OCC5=CC=CC=C5 |
| InChIKey | ITOQZFZYKJYLSZ-UHFFFAOYSA-N |
Chemical Property Profile of C22H18ClNO4
Property Insights of C22H18ClNO4
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H18ClNO4. With a topological polar surface area (TPSA) of 55.8 Ų, C22H18ClNO4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H18ClNO4 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
What is the CAS number of C22H18ClNO4?
The CAS number of C22H18ClNO4 is 1212280-65-3.
What is the molecular formula of C22H18ClNO4?
The molecular formula of C22H18ClNO4 is C22H18ClNO4.
What is the molecular weight of C22H18ClNO4?
The molecular weight of C22H18ClNO4 is 395.09244 g/mol.
Where can I buy C22H18ClNO4?
You can request a quote for C22H18ClNO4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H18ClNO4?
Yes, CoreyChem provides custom synthesis services for C22H18ClNO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.