TL;DR: F1142-3762 (CAS 1039450-77-5) is a chemical compound with molecular formula C26H23N3O4S2 and molecular weight 505.113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]-3-phenylpropanoic acid
Also Known As: F1142-3762, 2-[2-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamido]-3-phenylpropanoic acid, 2-(2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-3-phenylpropanoic acid, (2-((4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)phenylalanine, 2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]-3-phenylpropanoic acid
| Molecular Formula | C26H23N3O4S2 |
| Molecular Weight | 505.113 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.113 Da |
| Heavy Atoms | 35 |
| Complexity | 840.0 |
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC(CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5 |
| InChIKey | ZAUMAFXVKXMGGC-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that F1142-3762 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting F1142-3762 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F1142-3762 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of F1142-3762 is 1039450-77-5.
The molecular formula of F1142-3762 is C26H23N3O4S2.
The molecular weight of F1142-3762 is 505.113 g/mol.
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