Brn 1038242
TL;DR: Brn 1038242 (CAS 50332-29-1) 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-(4-fluorophenyl)methanone
Also Known As: 5-(4-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-(p-fluorobenzoyl)-, 5-(4-fluoro-benzoyl)-5,6,7,8,9,10-hexahydro-cyclohepta[b][1,3]dioxolo[4,5-f]indole, 5H-1,3-DIOXOLO(4,5-b)CARBAZOLE,6,7,8,9-TETRAHYDRO-5-(p-BROMOBENZOYL), (4-Fluorophenyl)(5,6,7,8,9,10-hexahydro-2H-cyclohepta[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 | 535.0 |
| SMILES | C1CCC2=C(C(C1)C(=O)C3=CC=C(C=C3)F)C4=CC5=C(C=C4N2)OCO5 |
| InChIKey | QASJGHPZMLTRCV-UHFFFAOYSA-N |
Chemical Property Profile of Brn 1038242
Property Insights of Brn 1038242
The XLogP value of 4.6 indicates that Brn 1038242 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Brn 1038242 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brn 1038242 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 Brn 1038242?
The CAS number of Brn 1038242 is 50332-29-1.
What is the molecular formula of Brn 1038242?
The molecular formula of Brn 1038242 is C21H18FNO3.
What is the molecular weight of Brn 1038242?
The molecular weight of Brn 1038242 is 351.12708 g/mol.
Where can I buy Brn 1038242?
You can request a quote for Brn 1038242 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Brn 1038242?
Yes, CoreyChem provides custom synthesis services for Brn 1038242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.