TL;DR: 2-chloro-N-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide (CAS 441738-66-5) is a chemical compound with molecular formula C16H12ClN3OS and molecular weight 329.03897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)benzamide
Also Known As: BAS 03016721, 2-chloro-N-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide, 2-Chloro-N-(2,3-dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-yl)-benzamide, 2-chloro-N-(7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-yl)benzamide, 2-CHLORO-N-{7-THIA-9,11-DIAZATRICYCLO[6.4.0.0(2),?]DODECA-1(12),2(6),8,10-TETRAEN-12-YL}BENZAMIDE
| Molecular Formula | C16H12ClN3OS |
| Molecular Weight | 329.03897 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.03897 Da |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
| SMILES | C1CC2=C(C1)SC3=NC=NC(=C23)NC(=O)C4=CC=CC=C4Cl |
| InChIKey | YUULOPWNWVIIJG-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2-chloro-N-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide. Following Lipinski's Rule of Five, 2-chloro-N-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide has 1 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 2-chloro-N-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide is 441738-66-5.
The molecular formula of 2-chloro-N-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide is C16H12ClN3OS.
The molecular weight of 2-chloro-N-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide is 329.03897 g/mol.
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