TL;DR: RefChem:372954 (CAS 101997-45-9) is a chemical compound with molecular formula C15H24Cl2N2O2 and molecular weight 334.1215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-5-methoxy-4-[2-(3-methylpiperidin-1-yl)ethoxy]aniline;hydrochloride
Also Known As: 1-(2-(4-Amino-2-chloro-6-methoxyphenoxy)ethyl)-3-methylpiperidine hydrochloride, Piperidine, 1-(2-(4-amino-2-chloro-6-methoxyphenoxy)ethyl)-3-methyl-, hydrochloride, 3-chloro-5-methoxy-4-[2-(3-methylpiperidin-1-yl)ethoxy]aniline hydrochloride, 3-Chloro-5-methoxy-4-[2-(3-methylpiperidin-1-yl)ethoxy]aniline--hydrogen chloride (1/1)
| Molecular Formula | C15H24Cl2N2O2 |
| Molecular Weight | 334.1215 g/mol |
| XLogP | 3.4633 |
| Topological Polar Surface Area (TPSA) | 47.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.1215 Da |
| Heavy Atoms | 21 |
| Complexity | 293.0 |
| SMILES | CC1CCCN(C1)CCOC2=C(C=C(C=C2Cl)N)OC.Cl |
| InChIKey | MVNGMXOPCJMFSM-UHFFFAOYSA-N |
The XLogP value of 3.4633 indicates that RefChem:372954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.7 Ų, RefChem:372954 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:372954 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 RefChem:372954 is 101997-45-9.
The molecular formula of RefChem:372954 is C15H24Cl2N2O2.
The molecular weight of RefChem:372954 is 334.1215 g/mol.
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