RefChem:352587
TL;DR: RefChem:352587 (CAS 49646-18-6) is a chemical compound with molecular formula C28H32N2O3 and molecular weight 444.24 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]phenyl]-phenylmethanone
Also Known As: (+-)-(2-(3-(4-(3,4-Dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)phenylmethanone, Methanone, (2-(3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)phenyl-, (+-)-, (2-{3-[4-(3,4-Dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl)(phenyl)methanone, [2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone, RefChem:352587
| Molecular Formula | C28H32N2O3 |
|---|---|
| Molecular Weight | 444.24 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.2413 |
| Heavy Atoms | 33 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 49646-18-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C(=O)C4=CC=CC=C4)O)C |
| InChIKey | BZADLRLFYLYWJD-UHFFFAOYSA-N |
Product Overview
RefChem:352587 (CAS 49646-18-6), with molecular formula C28H32N2O3 and molecular weight 444.24 g/mol. IUPAC: [2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone.
Chemical Property Profile of RefChem:352587
Property Insights of RefChem:352587
The XLogP value of 5.0 indicates that RefChem:352587 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:352587 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:352587 has 1 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:352587?
The CAS number of RefChem:352587 is 49646-18-6.
What is the molecular formula of RefChem:352587?
The molecular formula of RefChem:352587 is C28H32N2O3.
What is the molecular weight of RefChem:352587?
The molecular weight of RefChem:352587 is 444.24 g/mol.
Where can I buy RefChem:352587?
You can request a quote for RefChem:352587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:352587?
Yes, KEHONG BIO provides custom synthesis services for RefChem:352587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.