TL;DR: BAS 02376236 (CAS 312513-67-0) is a chemical compound with molecular formula C23H29N3O2S2 and molecular weight 443.1701 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(diethylamino)ethylsulfanyl]-12,12-dimethyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: BAS 02376236, BIM-0015970.P001, 2-{[2-(diethylamino)ethyl]sulfanyl}-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-((2-(diethylamino)ethyl)thio)-6,6-dimethyl-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-[2-(diethylamino)ethylsulfanyl]-6,6-dimethyl-3-phenyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C23H29N3O2S2 |
| Molecular Weight | 443.1701 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.1701 Da |
| Heavy Atoms | 30 |
| Complexity | 646.0 |
| SMILES | CCN(CC)CCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4=CC=CC=C4 |
| InChIKey | XGBYQBZMJPLPNN-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that BAS 02376236 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02376236. Following Lipinski's Rule of Five, BAS 02376236 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 02376236 is 312513-67-0.
The molecular formula of BAS 02376236 is C23H29N3O2S2.
The molecular weight of BAS 02376236 is 443.1701 g/mol.
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