TL;DR: 4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(3-chlorophenyl)- (CAS 149550-44-7) is a chemical compound with molecular formula C20H13ClN2O and molecular weight 332.07166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(3-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
Also Known As: BAS 00779527, 2-amino-4-(3-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile, 4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(3-chlorophenyl)-, J2.358.924I, 3-Pyridinecarboxylic acid,6-amino-5-chloro-2-methoxy
| Molecular Formula | C20H13ClN2O |
| Molecular Weight | 332.07166 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.07166 Da |
| Heavy Atoms | 24 |
| Complexity | 565.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC(=CC=C4)Cl)C#N)N |
| InChIKey | CTDSMXIJKXEWDZ-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(3-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(3-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(3-chlorophenyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(3-chlorophenyl)- is 149550-44-7.
The molecular formula of 4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(3-chlorophenyl)- is C20H13ClN2O.
The molecular weight of 4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(3-chlorophenyl)- is 332.07166 g/mol.
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