TL;DR: DivK1c_003351 (CAS 361153-83-5) is a chemical compound with molecular formula C26H24BrN5O6 and molecular weight 581.091 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl] morpholine-4-carboxylate
Also Known As: DivK1c_003351, CDS1_002311, F0850-6133, 4-(6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2,6-dimethoxyphenyl morpholine-4-carboxylate, [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl] morpholine-4-carboxylate
| Molecular Formula | C26H24BrN5O6 |
| Molecular Weight | 581.091 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 581.091 Da |
| Heavy Atoms | 38 |
| Complexity | 916.0 |
| SMILES | COC1=CC(=CC(=C1OC(=O)N2CCOCC2)OC)C3C(=C(OC4=NNC(=C34)C5=CC=C(C=C5)Br)N)C#N |
| InChIKey | HGTJKGKCURROLK-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that DivK1c_003351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting DivK1c_003351 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DivK1c_003351 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DivK1c_003351 is 361153-83-5.
The molecular formula of DivK1c_003351 is C26H24BrN5O6.
The molecular weight of DivK1c_003351 is 581.091 g/mol.
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