BRD-A74831412-001-01-6
TL;DR: BRD-A74831412-001-01-6 (CAS 1040916-99-1) is a chemical compound with molecular formula C27H22N6O3S2 and molecular weight 542.1195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
Also Known As: BRD-A74831412-001-01-6, F0919-6636, 3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide, 3-{3-oxo-5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide, 3-(3-oxo-5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(thien-2-ylmethyl)propanamide
Technical Specifications
| Molecular Formula | C27H22N6O3S2 |
| Molecular Weight | 542.1195 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.1195 Da |
| Heavy Atoms | 38 |
| Complexity | 1210.0 |
| SMILES | C1=CC=C2C(=C1)C3=NC(C(=O)N3C(=N2)SCC4=CC(=O)N5C=CC=CC5=N4)CCC(=O)NCC6=CC=CS6 |
| InChIKey | LENCHSZOWJXITQ-UHFFFAOYSA-N |
Chemical Property Profile of BRD-A74831412-001-01-6
Property Insights of BRD-A74831412-001-01-6
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-A74831412-001-01-6. The TPSA of 160.0 Ų indicates high polarity, suggesting BRD-A74831412-001-01-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRD-A74831412-001-01-6 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-A74831412-001-01-6?
The CAS number of BRD-A74831412-001-01-6 is 1040916-99-1.
What is the molecular formula of BRD-A74831412-001-01-6?
The molecular formula of BRD-A74831412-001-01-6 is C27H22N6O3S2.
What is the molecular weight of BRD-A74831412-001-01-6?
The molecular weight of BRD-A74831412-001-01-6 is 542.1195 g/mol.
Where can I buy BRD-A74831412-001-01-6?
You can request a quote for BRD-A74831412-001-01-6 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BRD-A74831412-001-01-6?
Yes, CoreyChem provides custom synthesis services for BRD-A74831412-001-01-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.