TL;DR: 2-(Benzofuro[3,2-d]pyrimidin-4-ylamino)phenol hydrochloride (CAS 1052521-17-1) is a chemical compound with molecular formula C16H12ClN3O2 and molecular weight 313.0618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol;hydrochloride
Also Known As: 2-(benzofuro[3,2-d]pyrimidin-4-ylamino)phenol hydrochloride, 2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol hydrochloride
| Molecular Formula | C16H12ClN3O2 |
| Molecular Weight | 313.0618 g/mol |
| XLogP | 4.247 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.0618 Da |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
| SMILES | C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NC4=CC=CC=C4O.Cl |
| InChIKey | OJVBKOYXYYPQQC-UHFFFAOYSA-N |
The XLogP value of 4.247 indicates that 2-(Benzofuro[3,2-d]pyrimidin-4-ylamino)phenol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzofuro[3,2-d]pyrimidin-4-ylamino)phenol hydrochloride. Following Lipinski's Rule of Five, 2-(Benzofuro[3,2-d]pyrimidin-4-ylamino)phenol hydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Benzofuro[3,2-d]pyrimidin-4-ylamino)phenol hydrochloride is 1052521-17-1.
The molecular formula of 2-(Benzofuro[3,2-d]pyrimidin-4-ylamino)phenol hydrochloride is C16H12ClN3O2.
The molecular weight of 2-(Benzofuro[3,2-d]pyrimidin-4-ylamino)phenol hydrochloride is 313.0618 g/mol.
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