C27H17ClFN3O5
TL;DR: C27H17ClFN3O5 (CAS 1013782-30-3) is a chemical compound with molecular formula C27H17ClFN3O5 and molecular weight 517.0841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(10R,11S,15R,16S)-13-(3-chloro-4-fluorophenyl)-16-(3-nitrobenzoyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
Also Known As: (6aR,6bS,9aR,10S)-8-(3-chloro-4-fluorophenyl)-10-(3-nitrobenzoyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione, (6aR,6bS,9aR,10S)-8-(3-chloro-4-fluorophenyl)-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Technical Specifications
| Molecular Formula | C27H17ClFN3O5 |
| Molecular Weight | 517.0841 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 517.0841 Da |
| Heavy Atoms | 37 |
| Complexity | 1020.0 |
| SMILES | C1=CC=C2C(=C1)C=C[C@H]3N2[C@@H]([C@H]4[C@@H]3C(=O)N(C4=O)C5=CC(=C(C=C5)F)Cl)C(=O)C6=CC(=CC=C6)[N+](=O)[O-] |
| InChIKey | CUVMCQWZQGOKDL-YCAMKHIRSA-N |
Chemical Property Profile of C27H17ClFN3O5
Property Insights of C27H17ClFN3O5
The XLogP value of 4.8 indicates that C27H17ClFN3O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H17ClFN3O5. Following Lipinski's Rule of Five, C27H17ClFN3O5 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 C27H17ClFN3O5?
The CAS number of C27H17ClFN3O5 is 1013782-30-3.
What is the molecular formula of C27H17ClFN3O5?
The molecular formula of C27H17ClFN3O5 is C27H17ClFN3O5.
What is the molecular weight of C27H17ClFN3O5?
The molecular weight of C27H17ClFN3O5 is 517.0841 g/mol.
Where can I buy C27H17ClFN3O5?
You can request a quote for C27H17ClFN3O5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C27H17ClFN3O5?
Yes, CoreyChem provides custom synthesis services for C27H17ClFN3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.