TL;DR: 1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy- (CAS 102632-27-9) is a chemical compound with molecular formula C12H11ClO4 and molecular weight 254.03459 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-2,3-dimethoxynaphthalene-1,4-diol
Also Known As: 1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy-, 6-chloro-2,3-dimethoxynaphthalene-1,4-diol, 6-chloro-2,3-dimethoxy-naphthalene-1,4-diol, 2,3-dimethoxy-1,4-dihydroxy-6-chloronaphthalene
| Molecular Formula | C12H11ClO4 |
| Molecular Weight | 254.03459 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.03459 Da |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
| SMILES | COC1=C(C2=C(C=C(C=C2)Cl)C(=C1OC)O)O |
| InChIKey | AAVFVGQUNPZTKP-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy- is 102632-27-9.
The molecular formula of 1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy- is C12H11ClO4.
The molecular weight of 1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy- is 254.03459 g/mol.
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