BRD-A78350604-001-01-1
TL;DR: BRD-A78350604-001-01-1 (CAS 1044266-55-8) is a chemical compound with molecular formula C23H22N6O4S and molecular weight 478.14233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
Also Known As: BRD-A78350604-001-01-1, 2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one, F0920-6615, 2-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one, 2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-5-thioxo-5,6-dihydroimidazo[1,2-c]quinazolin-3(2H)-one
Technical Specifications
| Molecular Formula | C23H22N6O4S |
| Molecular Weight | 478.14233 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.14233 Da |
| Heavy Atoms | 34 |
| Complexity | 1030.0 |
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC3C(=O)N4C(=C5C=CC=CC5=NC4=S)N3 |
| InChIKey | RYOYXOHGQGMVOU-UHFFFAOYSA-N |
Chemical Property Profile of BRD-A78350604-001-01-1
Property Insights of BRD-A78350604-001-01-1
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-A78350604-001-01-1. The TPSA of 146.0 Ų indicates high polarity, suggesting BRD-A78350604-001-01-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRD-A78350604-001-01-1 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BRD-A78350604-001-01-1?
The CAS number of BRD-A78350604-001-01-1 is 1044266-55-8.
What is the molecular formula of BRD-A78350604-001-01-1?
The molecular formula of BRD-A78350604-001-01-1 is C23H22N6O4S.
What is the molecular weight of BRD-A78350604-001-01-1?
The molecular weight of BRD-A78350604-001-01-1 is 478.14233 g/mol.
Where can I buy BRD-A78350604-001-01-1?
You can request a quote for BRD-A78350604-001-01-1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BRD-A78350604-001-01-1?
Yes, CoreyChem provides custom synthesis services for BRD-A78350604-001-01-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.