RefChem:335044
TL;DR: RefChem:335044 (CAS 50332-33-7) is a chemical compound with molecular formula C21H18BrNO3 and molecular weight 411.047 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-bromophenyl)-(13,15-dioxa-9-azatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraen-3-yl)methanone
Also Known As: 5-(4-Bromobenzoyl)-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-bromobenzoyl)-, 5H-1,3-DIOXOLO(4,5-b)CARBAZOLE,6,7,8,9-TETRAHYDRO-5-(p-BROMOBENZOYL), (4-Bromophenyl)(5,6,7,8,9,10-hexahydro-2H-cyclohepta[b][1,3]dioxolo[4,5-f]indol-10-yl)methanone, (4-bromophenyl)(5,6,7,8,9,10-hexahydrocyclohepta[b][1,3]dioxolo[4,5-f]indol-10-yl)methanone
Technical Specifications
| Molecular Formula | C21H18BrNO3 |
| Molecular Weight | 411.047 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.047 Da |
| Heavy Atoms | 26 |
| Complexity | 535.0 |
| SMILES | C1CCC2=C(C(C1)C(=O)C3=CC=C(C=C3)Br)C4=CC5=C(C=C4N2)OCO5 |
| InChIKey | ADIVJNZKPAKJPI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:335044
Property Insights of RefChem:335044
The XLogP value of 5.2 indicates that RefChem:335044 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:335044 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335044 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:335044?
The CAS number of RefChem:335044 is 50332-33-7.
What is the molecular formula of RefChem:335044?
The molecular formula of RefChem:335044 is C21H18BrNO3.
What is the molecular weight of RefChem:335044?
The molecular weight of RefChem:335044 is 411.047 g/mol.
Where can I buy RefChem:335044?
You can request a quote for RefChem:335044 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:335044?
Yes, CoreyChem provides custom synthesis services for RefChem:335044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.