RefChem:1073398
TL;DR: RefChem:1073398 (CAS 50279-97-5) is a chemical compound with molecular formula C20H18BrClN2O3 and molecular weight 448.01892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-bromophenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride
Also Known As: 5H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(m-bromobenzoyl)-8-methyl-, monohydrochloride, 6,7,8,9-Tetrahydro-5-(m-bromobenzoyl)-8-methyl-5H-1,3-dioxolo(4,5-f)pyrido(4,3-b)indole HCl, 5H-1,3-DIOXOLO(4,5-f)PYRIDO(4,3-b)INDOLE, 6,7,8,9-TETRAHYDRO-5-(m-BROMOBENZOYL)-
Technical Specifications
| Molecular Formula | C20H18BrClN2O3 |
| Molecular Weight | 448.01892 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 44.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 448.01892 Da |
| Heavy Atoms | 27 |
| Complexity | 561.0 |
| SMILES | C[NH+]1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC(=CC=C5)Br)OCO4.[Cl-] |
| InChIKey | DASDAHQHHDTVAP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1073398
Property Insights of RefChem:1073398
The XLogP value of -0.6 indicates that RefChem:1073398 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.9 Ų, RefChem:1073398 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1073398 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:1073398?
The CAS number of RefChem:1073398 is 50279-97-5.
What is the molecular formula of RefChem:1073398?
The molecular formula of RefChem:1073398 is C20H18BrClN2O3.
What is the molecular weight of RefChem:1073398?
The molecular weight of RefChem:1073398 is 448.01892 g/mol.
Where can I buy RefChem:1073398?
You can request a quote for RefChem:1073398 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1073398?
Yes, CoreyChem provides custom synthesis services for RefChem:1073398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.