BRD-A62173196-001-01-9
TL;DR: BRD-A62173196-001-01-9 (CAS 1044508-40-8) is a chemical compound with molecular formula C27H21ClN6O3S2 and molecular weight 576.0805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
Also Known As: BRD-A62173196-001-01-9, 3-{5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide, 3-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide, 3-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(thien-2-ylmethyl)propanamide
Technical Specifications
| Molecular Formula | C27H21ClN6O3S2 |
| Molecular Weight | 576.0805 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 576.0805 Da |
| Heavy Atoms | 39 |
| Complexity | 1260.0 |
| SMILES | C1=CC=C2C(=C1)C3=NC(C(=O)N3C(=N2)SCC4=CC(=O)N5C=C(C=CC5=N4)Cl)CCC(=O)NCC6=CC=CS6 |
| InChIKey | SDGHRGHZGHVIEB-UHFFFAOYSA-N |
Chemical Property Profile of BRD-A62173196-001-01-9
Property Insights of BRD-A62173196-001-01-9
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-A62173196-001-01-9. The TPSA of 160.0 Ų indicates high polarity, suggesting BRD-A62173196-001-01-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRD-A62173196-001-01-9 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BRD-A62173196-001-01-9?
The CAS number of BRD-A62173196-001-01-9 is 1044508-40-8.
What is the molecular formula of BRD-A62173196-001-01-9?
The molecular formula of BRD-A62173196-001-01-9 is C27H21ClN6O3S2.
What is the molecular weight of BRD-A62173196-001-01-9?
The molecular weight of BRD-A62173196-001-01-9 is 576.0805 g/mol.
Where can I buy BRD-A62173196-001-01-9?
You can request a quote for BRD-A62173196-001-01-9 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BRD-A62173196-001-01-9?
Yes, CoreyChem provides custom synthesis services for BRD-A62173196-001-01-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.