TL;DR: 2-phenyl-N-(pyridin-3-ylmethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride (CAS 1052527-98-6) is a chemical compound with molecular formula C22H17ClN4O and molecular weight 388.1091 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
Also Known As: 2-phenyl-N-(pyridin-3-ylmethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride, VU0210799-4, F3277-0258, 4-phenyl-N-[(pyridin-3-yl)methyl]-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine hydrochloride, 2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
| Molecular Formula | C22H17ClN4O |
| Molecular Weight | 388.1091 g/mol |
| XLogP | 5.4719 |
| Topological Polar Surface Area (TPSA) | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.1091 Da |
| Heavy Atoms | 28 |
| Complexity | 483.0 |
| SMILES | C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCC4=CN=CC=C4)OC5=CC=CC=C53.Cl |
| InChIKey | AVTRVYMFPXMPEA-UHFFFAOYSA-N |
The XLogP value of 5.4719 indicates that 2-phenyl-N-(pyridin-3-ylmethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-N-(pyridin-3-ylmethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride. Following Lipinski's Rule of Five, 2-phenyl-N-(pyridin-3-ylmethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-phenyl-N-(pyridin-3-ylmethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride is 1052527-98-6.
The molecular formula of 2-phenyl-N-(pyridin-3-ylmethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride is C22H17ClN4O.
The molecular weight of 2-phenyl-N-(pyridin-3-ylmethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride is 388.1091 g/mol.
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