TL;DR: 13H-(1)Benzothieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-13-one, 1,2,3,4-tetrahydro- (CAS 159852-68-3) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-oxa-10-thia-1,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-3(11),4(9),12,15,17,19-hexaen-2-one
Also Known As: 13H-(1)Benzothieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-13-one, 1,2,3,4-tetrahydro-, 9,10,11,12-Tetrahydro-12H-benzothieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-12-one, 1,2,3,4-Tetrahydro-13H-(1)benzothieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-13-one, 1,2,3,4-Tetrahydro-13H-[1]benzothieno[2',3':4,5]pyrimido[2,1-b][1,3]benzoxazol-13-one, 5,6,7,8-Tetrahydro-4H-2,3-(epoxy[1,2]benzeno)[1]benzothieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C16H12N2O2S |
| Molecular Weight | 296.06195 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.06195 Da |
| Heavy Atoms | 21 |
| Complexity | 509.0 |
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)C5=CC=CC=C5O4 |
| InChIKey | QJISXDXVUNJSLC-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 13H-(1)Benzothieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-13-one, 1,2,3,4-tetrahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 13H-(1)Benzothieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-13-one, 1,2,3,4-tetrahydro-. Following Lipinski's Rule of Five, 13H-(1)Benzothieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-13-one, 1,2,3,4-tetrahydro- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 13H-(1)Benzothieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-13-one, 1,2,3,4-tetrahydro- is 159852-68-3.
The molecular formula of 13H-(1)Benzothieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-13-one, 1,2,3,4-tetrahydro- is C16H12N2O2S.
The molecular weight of 13H-(1)Benzothieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-13-one, 1,2,3,4-tetrahydro- is 296.06195 g/mol.
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