TL;DR: DR 3438 (CAS 112953-47-6) is a chemical compound with molecular formula C18H13ClO5 and molecular weight 344.04517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-chloro-3-(2-methylphenyl)-4-oxochromen-7-yl]oxyacetic acid
Also Known As: DR 3438, 2-[5-chloro-3-(2-methylphenyl)-4-oxochromen-7-yl]oxyacetic acid, ((5-Chloro-3-(2-methylphenol)-4-oxo-4H-1-benzopyran-7-yl)oxy)acetic acid, {[5-chloro-3-(2-methylphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetic acid, Acetic acid, ((5-chloro-3-(2-methylphenyl)-4-oxo-4H-1-benzopyran-7-yl)oxy)-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H13ClO5 |
| Molecular Weight | 344.04517 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.04517 Da |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
| SMILES | CC1=CC=CC=C1C2=COC3=C(C2=O)C(=CC(=C3)OCC(=O)O)Cl |
| InChIKey | POJPNUILSOANLV-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that DR 3438 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for DR 3438. Following Lipinski's Rule of Five, DR 3438 has 1 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 DR 3438 is 112953-47-6.
The molecular formula of DR 3438 is C18H13ClO5.
The molecular weight of DR 3438 is 344.04517 g/mol.
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