![2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol structure](/static/products/4159/415958-99-5.webp)
2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol
TL;DR: 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol (CAS 415958-99-5) is a chemical compound with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-benzylpiperazin-1-yl)methyl]-4-chlorophenol
Also Known As: 2-[(4-benzylpiperazin-1-yl)methyl]-4-chlorophenol, 2-[(4-benzyl-1-piperazinyl)methyl]-4-chlorophenol, Cambridge id 5431762
| Molecular Formula | C18H21ClN2O |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.13425 |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 415958-99-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)O |
| InChIKey | CLNLJBXCSNSBRR-UHFFFAOYSA-N |
Product Overview
2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol (CAS 415958-99-5), with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol. IUPAC: 2-[(4-benzylpiperazin-1-yl)methyl]-4-chlorophenol.
Chemical Property Profile of 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol
Property Insights of 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol
The XLogP value of 3.3 indicates that 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.7 Ų, 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol?
The CAS number of 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol is 415958-99-5.
What is the molecular formula of 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol?
The molecular formula of 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol is C18H21ClN2O.
What is the molecular weight of 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol?
The molecular weight of 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol is 316.13 g/mol.
Where can I buy 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol?
You can request a quote for 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.