TL;DR: F1143-0685 (CAS 1008712-47-7) is a chemical compound with molecular formula C28H27N3O4S2 and molecular weight 533.1443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-phenylpropanoic acid
Also Known As: F1143-0685, 2-(2-((7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-3-phenylpropanoic acid, 2-[[2-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-phenylpropanoic acid, 2-[2-({11-methyl-3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamido]-3-phenylpropanoic acid
| Molecular Formula | C28H27N3O4S2 |
| Molecular Weight | 533.1443 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.1443 Da |
| Heavy Atoms | 37 |
| Complexity | 887.0 |
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC(CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5 |
| InChIKey | IFMWDLVXIQDZRV-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that F1143-0685 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting F1143-0685 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F1143-0685 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of F1143-0685 is 1008712-47-7.
The molecular formula of F1143-0685 is C28H27N3O4S2.
The molecular weight of F1143-0685 is 533.1443 g/mol.
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