TL;DR: Kdi 792 (CAS 130047-27-7) is a chemical compound with molecular formula C22H27Cl2N3O4S and molecular weight 499.10992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid;hydrochloride
Also Known As: Kdi 792, FK 070, (2S,4R)-2-[(Z)-5-carboxy-1-pentenyl]-4-(4-chlorophenylsulfonylamino)-1-(3-pyridylmethyl)pyrrolidine hydrochloride, (Z)-6-[(2S,4R)-4-[(4-Chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid;hydrochloride, (2S,4R)-2-[(Z)-5-carboxy-1-pentenyl]-4-(4-chlorophenylsulfonylamino)-1-(3-pyridylmethyl)pyrolidine hydrochloride
| Molecular Formula | C22H27Cl2N3O4S |
| Molecular Weight | 499.10992 g/mol |
| XLogP | 3.8893 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.10992 Da |
| Heavy Atoms | 32 |
| Complexity | 704.0 |
| SMILES | C1[C@H](CN([C@@H]1/C=C\CCCC(=O)O)CC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl.Cl |
| InChIKey | JGCFJVFIRFTRKJ-YOLZMAEBSA-N |
The XLogP value of 3.8893 indicates that Kdi 792 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Kdi 792. Following Lipinski's Rule of Five, Kdi 792 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Kdi 792 is 130047-27-7.
The molecular formula of Kdi 792 is C22H27Cl2N3O4S.
The molecular weight of Kdi 792 is 499.10992 g/mol.
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