TL;DR: Dhq-5-CA (CAS 115225-74-6) is a chemical compound with molecular formula C20H18O3 and molecular weight 306.12558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12,19-dimethyl-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
Also Known As: Dhq-5-CA, Decahydroquinoline-5-carboxylic acid, cis-Decahydroquinoline-5-carboxylic acid, 1,2,3-trichloro-4-(2,4-dichlorophenoxy)benzene, J1.914.151I
| Molecular Formula | C20H18O3 |
| Molecular Weight | 306.12558 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.12558 Da |
| Heavy Atoms | 23 |
| Complexity | 480.0 |
| SMILES | CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C5C(O5)C(C3O)O |
| InChIKey | SZIWZGXOWBSPTO-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dhq-5-CA. With a topological polar surface area (TPSA) of 53.0 Ų, Dhq-5-CA exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dhq-5-CA has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dhq-5-CA is 115225-74-6.
The molecular formula of Dhq-5-CA is C20H18O3.
The molecular weight of Dhq-5-CA is 306.12558 g/mol.
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