621C47
TL;DR: 621C47 (CAS 109654-95-7) is a chemical compound with molecular formula C18H16BrN3S and molecular weight 385.02484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-6-thiophen-2-ylphenanthridin-5-ium-3,8-diamine bromide
Also Known As: 621C47, 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide, Phenanthridinium, 3,8-diamino-5-methyl-6-(2-thienyl)-, bromide, 5-methyl-6-thiophen-2-ylphenanthridin-5-ium-3,8-diamine bromide, 3-Imino-5-methyl-6-(thiophen-2-yl)-3,5-dihydrophenanthridin-8-amine--hydrogen bromide (1/1)
Technical Specifications
| Molecular Formula | C18H16BrN3S |
| Molecular Weight | 385.02484 g/mol |
| XLogP | 0.7144 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 385.02484 Da |
| Heavy Atoms | 23 |
| Complexity | 404.0 |
| SMILES | C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CS4)N)N.[Br-] |
| InChIKey | NHDXFEBPMLIXCQ-UHFFFAOYSA-N |
Chemical Property Profile of 621C47
Property Insights of 621C47
The XLogP value of 0.7144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 621C47. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 621C47. Following Lipinski's Rule of Five, 621C47 has 2 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 621C47?
The CAS number of 621C47 is 109654-95-7.
What is the molecular formula of 621C47?
The molecular formula of 621C47 is C18H16BrN3S.
What is the molecular weight of 621C47?
The molecular weight of 621C47 is 385.02484 g/mol.
Where can I buy 621C47?
You can request a quote for 621C47 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 621C47?
Yes, CoreyChem provides custom synthesis services for 621C47 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.