4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-
TL;DR: 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)- (CAS 83823-23-8) is a chemical compound with molecular formula C15H11ClN2O2 and molecular weight 286.0509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-chloro-2H-chromen-3-yl)-(4-imino-1-pyridinyl)methanone
Also Known As: KST-1A8751, 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-, 1-((6-Chloro-2H-1-benzopyran-3-yl)carbonyl)-4(1H)-pyrimidinimine, (6-chloro-2h-chromen-3-yl)(4-iminopyridin-1(4h)-yl)methanone, (6-chloro-2H-chromen-3-yl)-(4-iminopyridin-1-yl)methanone
Technical Specifications
| Molecular Formula | C15H11ClN2O2 |
| Molecular Weight | 286.0509 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.0509 Da |
| Heavy Atoms | 20 |
| Complexity | 508.0 |
| SMILES | C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)N3C=CC(=N)C=C3 |
| InChIKey | XMMVIAWVYLIYRR-UHFFFAOYSA-N |
Chemical Property Profile of 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-
Property Insights of 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-. With a topological polar surface area (TPSA) of 53.4 Ų, 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-?
The CAS number of 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)- is 83823-23-8.
What is the molecular formula of 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-?
The molecular formula of 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)- is C15H11ClN2O2.
What is the molecular weight of 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-?
The molecular weight of 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)- is 286.0509 g/mol.
Where can I buy 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-?
You can request a quote for 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-?
Yes, CoreyChem provides custom synthesis services for 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.