TL;DR: AB00849285-07 (CAS 1212332-15-4) is a chemical compound with molecular formula C21H30ClN3O4S and molecular weight 455.16455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexane-1-carboxamide
Also Known As: AB00849285-07, (1r,4r)-4-((4-chlorophenylsulfonamido)methyl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)cyclohexanecarboxamide, 4-[(4-CHLOROBENZENESULFONAMIDO)METHYL]-N-[3-(2-OXOPYRROLIDIN-1-YL)PROPYL]CYCLOHEXANE-1-CARBOXAMIDE, 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexane-1-carboxamide, trans-4-({[(4-chlorophenyl)sulfonyl]amino}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclohexanecarboxamide
| Molecular Formula | C21H30ClN3O4S |
| Molecular Weight | 455.16455 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.16455 Da |
| Heavy Atoms | 30 |
| Complexity | 681.0 |
| SMILES | C1CC(=O)N(C1)CCCNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | YVLXDUHGEMQGFK-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00849285-07. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00849285-07. Following Lipinski's Rule of Five, AB00849285-07 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of AB00849285-07 is 1212332-15-4.
The molecular formula of AB00849285-07 is C21H30ClN3O4S.
The molecular weight of AB00849285-07 is 455.16455 g/mol.
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