RefChem:265758
TL;DR: RefChem:265758 (CAS 63716-07-4) is a chemical compound with molecular formula C22H30Cl2N2O3 and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]benzaldehyde;dihydrochloride
Also Known As: Benzaldehyde, o-(2-hydroxy-3-(4-(3,4-xylyl)-1-piperazinyl)propoxy)-, dihydrochloride, 2-Propanol, 1-(4-(3,4-dimethylphenyl)piperazinyl)-3-(2-formylphenoxy)-, dihydrochloride, 2-{3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy}benzaldehyde dihydrochloride, 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]benzaldehyde dihydrochloride, 2-{3-[4-(3,4-Dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy}benzaldehyde--hydrogen chloride (1/2)
| Molecular Formula | C22H30Cl2N2O3 |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 3.52 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.16336 |
| Heavy Atoms | 29 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 63716-07-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C=O)O)C.Cl.Cl |
| InChIKey | PWHUBFUUJPVEOV-UHFFFAOYSA-N |
Product Overview
RefChem:265758 (CAS 63716-07-4), with molecular formula C22H30Cl2N2O3 and molecular weight 440.16 g/mol. IUPAC: 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]benzaldehyde;dihydrochloride.
Chemical Property Profile of RefChem:265758
Property Insights of RefChem:265758
The XLogP value of 3.52 indicates that RefChem:265758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, RefChem:265758 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:265758 has 3 hydrogen bond donor(s) and 5 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 RefChem:265758?
The CAS number of RefChem:265758 is 63716-07-4.
What is the molecular formula of RefChem:265758?
The molecular formula of RefChem:265758 is C22H30Cl2N2O3.
What is the molecular weight of RefChem:265758?
The molecular weight of RefChem:265758 is 440.16 g/mol.
Where can I buy RefChem:265758?
You can request a quote for RefChem:265758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:265758?
Yes, KEHONG BIO provides custom synthesis services for RefChem:265758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.