7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin
TL;DR: 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin (CAS 146699-01-6) is a chemical compound with molecular formula C16H17ClO2 and molecular weight 276.0917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-4-methyl-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-2-one
Also Known As: J1.639.996E, 7-chloro-4-methyl-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-2-one, 7-CHLORO-4A,5,6,7,8,8A-HEXAHYDRO-4-METHYL-3-PHENYLCOUMARIN, 7-chloro-4-methyl-3-phenyl-4a,5,6,7,8,8a-hexahydro-2H-chromen-2-one, 7-Chloro-4-methyl-3-phenyl-4a,5,6,7,8,8a-hexahydrocoumarin
Technical Specifications
| Molecular Formula | C16H17ClO2 |
| Molecular Weight | 276.0917 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.0917 Da |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
| SMILES | CC1=C(C(=O)OC2C1CCC(C2)Cl)C3=CC=CC=C3 |
| InChIKey | MBRKXOAKUNDRJZ-UHFFFAOYSA-N |
Chemical Property Profile of 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin
Property Insights of 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin
The XLogP value of 3.6 indicates that 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin?
The CAS number of 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin is 146699-01-6.
What is the molecular formula of 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin?
The molecular formula of 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin is C16H17ClO2.
What is the molecular weight of 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin?
The molecular weight of 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin is 276.0917 g/mol.
Where can I buy 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin?
You can request a quote for 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin?
Yes, CoreyChem provides custom synthesis services for 7-Chloro-4A,5,6,7,8,8A-hexahydro-4-methyl-3-phenylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.