TL;DR: 1-(Butylamino)-3-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-2-propanol (CAS 109736-11-0) is a chemical compound with molecular formula C31H37NO4 and molecular weight 487.27225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(butylamino)-3-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]propan-2-ol
Also Known As: 1-(Butylamino)-3-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-2-propanol, 2-Propanol, 1-(butylamino)-3-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-, 2,2-Dimethyl-3-phenyl-4-p-(3-n-butylamino-2-hydroxy-propyloxyphenyl)-7-methoxychromene, 1-(butylamino)-3-[4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-chromen-4-yl)phenoxy]propan-2-ol, 1-(butylamino)-3-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]propan-2-ol
| Molecular Formula | C31H37NO4 |
| Molecular Weight | 487.27225 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 487.27225 Da |
| Heavy Atoms | 36 |
| Complexity | 693.0 |
| SMILES | CCCCNCC(COC1=CC=C(C=C1)C2=C(C(OC3=C2C=CC(=C3)OC)(C)C)C4=CC=CC=C4)O |
| InChIKey | CBOYOWVNIHUFCM-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 1-(Butylamino)-3-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-2-propanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Butylamino)-3-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-2-propanol. Following Lipinski's Rule of Five, 1-(Butylamino)-3-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-2-propanol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(Butylamino)-3-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-2-propanol is 109736-11-0.
The molecular formula of 1-(Butylamino)-3-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-2-propanol is C31H37NO4.
The molecular weight of 1-(Butylamino)-3-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-2-propanol is 487.27225 g/mol.
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