TL;DR: (6,8-Dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)methanone (CAS 83823-28-3) is a chemical compound with molecular formula C15H10Cl2N2O2 and molecular weight 320.01193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6,8-dichloro-2H-chromen-3-yl)-(2-imino-1-pyridinyl)methanone
Also Known As: KST-1A8752, 1-((6,8-Dichloro-2H-1-benzopyran-3-yl)carbonyl)-2(1H)-pyridinimine, 2(1H)-Pyridinimine, 1-((6,8-dichloro-2H-1-benzopyran-3-yl)carbonyl)-, (6,8-dichloro-2h-chromen-3-yl)[(2e)-2-iminopyridin-1(2h)-yl]methanone, (6,8-Dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)methanone
| Molecular Formula | C15H10Cl2N2O2 |
| Molecular Weight | 320.01193 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.01193 Da |
| Heavy Atoms | 21 |
| Complexity | 556.0 |
| SMILES | C1C(=CC2=C(O1)C(=CC(=C2)Cl)Cl)C(=O)N3C=CC=CC3=N |
| InChIKey | RVDYVUOTQGMQDA-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that (6,8-Dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, (6,8-Dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6,8-Dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)methanone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (6,8-Dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)methanone is 83823-28-3.
The molecular formula of (6,8-Dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)methanone is C15H10Cl2N2O2.
The molecular weight of (6,8-Dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)methanone is 320.01193 g/mol.
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