TL;DR: 2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl- (CAS 123886-64-6) is a chemical compound with molecular formula C27H27ClO3 and molecular weight 434.1649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(3-chloropropoxy)phenyl]-7-methoxy-2,2-dimethyl-3-phenylchromene
Also Known As: 2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl-, 4-(4-(3-Chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran, 4-[4-(3-chloropropoxy)phenyl]-7-methoxy-2,2-dimethyl-3-phenylchromene, 4-[4-(3-Chloropropoxy)phenyl]-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran
| Molecular Formula | C27H27ClO3 |
| Molecular Weight | 434.1649 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.1649 Da |
| Heavy Atoms | 31 |
| Complexity | 602.0 |
| SMILES | CC1(C(=C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCCCl)C4=CC=CC=C4)C |
| InChIKey | BIOQXYHXQAUGDU-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl- is 123886-64-6.
The molecular formula of 2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl- is C27H27ClO3.
The molecular weight of 2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl- is 434.1649 g/mol.
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