RefChem:335042
TL;DR: RefChem:335042 (CAS 50332-30-4) is a chemical compound with molecular formula C21H18FNO3 and molecular weight 351.12708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13,15-dioxa-9-azatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraen-3-yl-(3-fluorophenyl)methanone
Also Known As: 5-(3-Fluorobenzoyl)-5,6,7,8,9,10-hexahydrocyclohepta(b)-1,3-dioxolo(4,5-f)indole, Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(m-fluorobenzoyl)-, 5H-1,3-DIOXOLO(4,5-b)CARBAZOLE,6,7,8,9-TETRAHYDRO-5-(p-BROMOBENZOYL), (3-Fluorophenyl)(5,6,7,8,9,10-hexahydro-2H-cyclohepta[b][1,3]dioxolo[4,5-f]indol-10-yl)methanone, (3-fluorophenyl)(5,6,7,8,9,10-hexahydrocyclohepta[b][1,3]dioxolo[4,5-f]indol-10-yl)methanone
Technical Specifications
| Molecular Formula | C21H18FNO3 |
| Molecular Weight | 351.12708 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.12708 Da |
| Heavy Atoms | 26 |
| Complexity | 543.0 |
| SMILES | C1CCC2=C(C(C1)C(=O)C3=CC(=CC=C3)F)C4=CC5=C(C=C4N2)OCO5 |
| InChIKey | KJXHJMIYSSBZDU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:335042
Property Insights of RefChem:335042
The XLogP value of 4.6 indicates that RefChem:335042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, RefChem:335042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335042 has 1 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 RefChem:335042?
The CAS number of RefChem:335042 is 50332-30-4.
What is the molecular formula of RefChem:335042?
The molecular formula of RefChem:335042 is C21H18FNO3.
What is the molecular weight of RefChem:335042?
The molecular weight of RefChem:335042 is 351.12708 g/mol.
Where can I buy RefChem:335042?
You can request a quote for RefChem:335042 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:335042?
Yes, CoreyChem provides custom synthesis services for RefChem:335042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.