RefChem:372329
TL;DR: RefChem:372329 (CAS 63981-27-1) is a chemical compound with molecular formula C27H31ClN4O5 and molecular weight 526.1983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]piperazin-1-yl]pyrimidine;oxalic acid
Also Known As: 1-(4-(alpha-(p-Chlorophenyl)benzyloxy)butyl)-4-(2-pyrimidyl)piperazine oxalate, Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(2-pyrimidyl)-, oxalate, 2-(4-{4-[(4-chlorophenyl)(phenyl)methoxy]butyl}piperazin-1-yl)pyrimidine ethanedioate(1:1), 2-[4-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]piperazin-1-yl]pyrimidine; oxalic acid, Oxalic acid--2-(4-{4-[(4-chlorophenyl)(phenyl)methoxy]butyl}piperazin-1-yl)pyrimidine (1/1)
Technical Specifications
| Molecular Formula | C27H31ClN4O5 |
| Molecular Weight | 526.1983 g/mol |
| XLogP | 3.99 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 526.1983 Da |
| Heavy Atoms | 37 |
| Complexity | 553.0 |
| SMILES | C1CN(CCN1CCCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4.C(=O)(C(=O)O)O |
| InChIKey | IUJVVFFFMCZPKL-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:372329
Property Insights of RefChem:372329
The XLogP value of 3.99 indicates that RefChem:372329 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:372329. Following Lipinski's Rule of Five, RefChem:372329 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:372329?
The CAS number of RefChem:372329 is 63981-27-1.
What is the molecular formula of RefChem:372329?
The molecular formula of RefChem:372329 is C27H31ClN4O5.
What is the molecular weight of RefChem:372329?
The molecular weight of RefChem:372329 is 526.1983 g/mol.
Where can I buy RefChem:372329?
You can request a quote for RefChem:372329 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:372329?
Yes, CoreyChem provides custom synthesis services for RefChem:372329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.