TL;DR: CCRIS 7034 (CAS 152612-73-2) is a chemical compound with molecular formula C8H7Cl2NO3S and molecular weight 266.95236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6,7-dichloro-5-oxo-3,7a-dihydro-2H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylate
Also Known As: 6,7-Dichloro-2,3,5,7a-tetrahydro-5-oxopyrrolo(2,1-b)thiazole-3-carboxylic acid, methyl ester, Pyrrolo(2,1-b)thiazole-3-carboxylic acid, 6,7-dichloro-2,3,5,7a-tetrahydro-5-oxo-, methyl ester, methyl 6,7-dichloro-5-oxo-3,7a-dihydro-2H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylate, (3R-trans)-6,7-Dichloro-2,3,5,7a-tetrahydro-5-oxopyrrolo(2,1-b)thiazole-3-carboxylic acid, methyl ester, 3R-trans-6,7-Dichloro-2,3,5,7a-tetrahydro-5-oxo-pyrrolo(2,1-b)thiazole-3-carboxylic acid methyl ester
| Molecular Formula | C8H7Cl2NO3S |
| Molecular Weight | 266.95236 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.95236 Da |
| Heavy Atoms | 15 |
| Complexity | 371.0 |
| SMILES | COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl |
| InChIKey | UANHXIZTSSEALZ-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CCRIS 7034. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CCRIS 7034. Following Lipinski's Rule of Five, CCRIS 7034 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 CCRIS 7034 is 152612-73-2.
The molecular formula of CCRIS 7034 is C8H7Cl2NO3S.
The molecular weight of CCRIS 7034 is 266.95236 g/mol.
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