C28H18ClF3N2O3
TL;DR: C28H18ClF3N2O3 (CAS 1013824-19-5) is a chemical compound with molecular formula C28H18ClF3N2O3 and molecular weight 522.0958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,11S,12R,16S)-11-benzoyl-14-[4-chloro-3-(trifluoromethyl)phenyl]-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
Also Known As: (1S,11S,12R,16S)-11-benzoyl-14-[4-chloro-3-(trifluoromethyl)phenyl]-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione, (8S,8aR,11aS,11bS)-10-[4-chloro-3-(trifluoromethyl)phenyl]-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione, (8S,8aR,11aS,11bS)-8-benzoyl-10-(4-chloro-3-(trifluoromethyl)phenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Technical Specifications
| Molecular Formula | C28H18ClF3N2O3 |
| Molecular Weight | 522.0958 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 522.0958 Da |
| Heavy Atoms | 37 |
| Complexity | 980.0 |
| SMILES | C1=CC=C(C=C1)C(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)C(F)(F)F |
| InChIKey | CPXOGDMMAVNQQL-KEZOAJOQSA-N |
Chemical Property Profile of C28H18ClF3N2O3
Property Insights of C28H18ClF3N2O3
The XLogP value of 5.4 indicates that C28H18ClF3N2O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, C28H18ClF3N2O3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C28H18ClF3N2O3 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C28H18ClF3N2O3?
The CAS number of C28H18ClF3N2O3 is 1013824-19-5.
What is the molecular formula of C28H18ClF3N2O3?
The molecular formula of C28H18ClF3N2O3 is C28H18ClF3N2O3.
What is the molecular weight of C28H18ClF3N2O3?
The molecular weight of C28H18ClF3N2O3 is 522.0958 g/mol.
Where can I buy C28H18ClF3N2O3?
You can request a quote for C28H18ClF3N2O3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C28H18ClF3N2O3?
Yes, CoreyChem provides custom synthesis services for C28H18ClF3N2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.