C18H12ClFN2O3
TL;DR: C18H12ClFN2O3 (CAS 1212216-50-6) is a chemical compound with molecular formula C18H12ClFN2O3 and molecular weight 358.05206 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,6aS)-5-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aR,6aS)-5-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Technical Specifications
| Molecular Formula | C18H12ClFN2O3 |
| Molecular Weight | 358.05206 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.05206 Da |
| Heavy Atoms | 25 |
| Complexity | 605.0 |
| SMILES | CC1=C(C=C(C=C1)Cl)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)F |
| InChIKey | KGBVNSDQYJXRPC-ZBFHGGJFSA-N |
Chemical Property Profile of C18H12ClFN2O3
Property Insights of C18H12ClFN2O3
The XLogP value of 3.8 indicates that C18H12ClFN2O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, C18H12ClFN2O3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H12ClFN2O3 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C18H12ClFN2O3?
The CAS number of C18H12ClFN2O3 is 1212216-50-6.
What is the molecular formula of C18H12ClFN2O3?
The molecular formula of C18H12ClFN2O3 is C18H12ClFN2O3.
What is the molecular weight of C18H12ClFN2O3?
The molecular weight of C18H12ClFN2O3 is 358.05206 g/mol.
Where can I buy C18H12ClFN2O3?
You can request a quote for C18H12ClFN2O3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H12ClFN2O3?
Yes, CoreyChem provides custom synthesis services for C18H12ClFN2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.