RefChem:372004
TL;DR: RefChem:372004 (CAS 23904-79-2) is a chemical compound with molecular formula C28H31ClN2O6 and molecular weight 526.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
Also Known As: 1-(2-(alpha-(p-Chlorophenyl)benzyloxy)ethyl)-4-(o-methoxyphenyl)piperazine oxalate, Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzyloxy)ethyl)-4-(o-methoxyphenyl)-, oxalate, 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-methoxyphenyl)piperazine; oxalic acid, Oxalic acid--1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}-4-(2-methoxyphenyl)piperazine (1/1), Piperazine, 1-[2-[(p-chloro-.alpha.-phenylbenzyl)oxy]ethyl]-4-(o-methoxyphenyl)-, oxalate (1:1)
| Molecular Formula | C28H31ClN2O6 |
|---|---|
| Molecular Weight | 526.19 g/mol |
| LogP | 4.43 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.1871 |
| Heavy Atoms | 37 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 23904-79-2 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.C(=O)(C(=O)O)O |
| InChIKey | FNCPSCUFEVHYTI-UHFFFAOYSA-N |
Product Overview
RefChem:372004 (CAS 23904-79-2), with molecular formula C28H31ClN2O6 and molecular weight 526.19 g/mol. IUPAC: 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;oxalic acid.
Chemical Property Profile of RefChem:372004
Property Insights of RefChem:372004
The XLogP value of 4.43 indicates that RefChem:372004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:372004. Following Lipinski's Rule of Five, RefChem:372004 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:372004?
The CAS number of RefChem:372004 is 23904-79-2.
What is the molecular formula of RefChem:372004?
The molecular formula of RefChem:372004 is C28H31ClN2O6.
What is the molecular weight of RefChem:372004?
The molecular weight of RefChem:372004 is 526.19 g/mol.
Where can I buy RefChem:372004?
You can request a quote for RefChem:372004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372004?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.