TL;DR: BIM-0028137.P001 (CAS 102609-56-3) is a chemical compound with molecular formula C24H25N3O2S2 and molecular weight 451.13882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-benzyl-2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: BIM-0028137.P001, AB00093398-01, ethyl 6-benzyl-2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate, ethyl 6-benzyl-2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 6-benzyl-2-(3-phenylthioureido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C24H25N3O2S2 |
| Molecular Weight | 451.13882 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.13882 Da |
| Heavy Atoms | 31 |
| Complexity | 608.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4 |
| InChIKey | CZDVBQVUQKOSSJ-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that BIM-0028137.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0028137.P001. Following Lipinski's Rule of Five, BIM-0028137.P001 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of BIM-0028137.P001 is 102609-56-3.
The molecular formula of BIM-0028137.P001 is C24H25N3O2S2.
The molecular weight of BIM-0028137.P001 is 451.13882 g/mol.
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