C18H12ClN3O6
TL;DR: C18H12ClN3O6 (CAS 1212331-84-4) is a chemical compound with molecular formula C18H12ClN3O6 and molecular weight 401.04147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, (3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione, (3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Technical Specifications
| Molecular Formula | C18H12ClN3O6 |
| Molecular Weight | 401.04147 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.04147 Da |
| Heavy Atoms | 28 |
| Complexity | 710.0 |
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=CC=C4Cl |
| InChIKey | SZRKLXYKGLFIIP-ZBFHGGJFSA-N |
Chemical Property Profile of C18H12ClN3O6
Property Insights of C18H12ClN3O6
The XLogP value of 3.1 indicates that C18H12ClN3O6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H12ClN3O6. Following Lipinski's Rule of Five, C18H12ClN3O6 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C18H12ClN3O6?
The CAS number of C18H12ClN3O6 is 1212331-84-4.
What is the molecular formula of C18H12ClN3O6?
The molecular formula of C18H12ClN3O6 is C18H12ClN3O6.
What is the molecular weight of C18H12ClN3O6?
The molecular weight of C18H12ClN3O6 is 401.04147 g/mol.
Where can I buy C18H12ClN3O6?
You can request a quote for C18H12ClN3O6 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H12ClN3O6?
Yes, CoreyChem provides custom synthesis services for C18H12ClN3O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.