RefChem:1061315
TL;DR: RefChem:1061315 (CAS 102585-50-2) is a chemical compound with molecular formula C27H31ClN2O2 and molecular weight 450.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate chloride
Also Known As: Diphenylacetic acid beta-(4-methyl-1-piperazinyl)phenethyl ester hydrochloride, Acetic acid, diphenyl-, beta-(4-methyl-1-piperazinyl)phenethyl ester, hydrochloride, 4-{2-[(diphenylacetyl)oxy]-1-phenylethyl}-1-methylpiperazin-1-ium chloride, [2-(4-methylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate chloride, [2-(4-methylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetatechloride
| Molecular Formula | C27H31ClN2O2 |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | -0.06 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.2074 |
| Heavy Atoms | 32 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 102585-50-2 |
|---|---|
| SMILES | C[NH+]1CCN(CC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-] |
| InChIKey | FNXCLQJRWQGPPM-UHFFFAOYSA-N |
Product Overview
RefChem:1061315 (CAS 102585-50-2), with molecular formula C27H31ClN2O2 and molecular weight 450.21 g/mol. IUPAC: [2-(4-methylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate chloride.
Chemical Property Profile of RefChem:1061315
Property Insights of RefChem:1061315
The XLogP value of -0.06 indicates that RefChem:1061315 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, RefChem:1061315 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061315 has 1 hydrogen bond donor(s) and 4 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:1061315?
The CAS number of RefChem:1061315 is 102585-50-2.
What is the molecular formula of RefChem:1061315?
The molecular formula of RefChem:1061315 is C27H31ClN2O2.
What is the molecular weight of RefChem:1061315?
The molecular weight of RefChem:1061315 is 450.21 g/mol.
Where can I buy RefChem:1061315?
You can request a quote for RefChem:1061315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061315?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.