RefChem:1052140
TL;DR: RefChem:1052140 (CAS 62033-52-7) is a chemical compound with molecular formula C23H27NO6 and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-[1-(2-phenylethyl)piperidin-3-yl]benzene-1,2-diol
Also Known As: N-(beta-Phenylethyl)-3-(3',4'-dihydroxyphenyl)piperidine fumarate, 1,2-Benzenediol, 4-(1-(2-phenylethyl)-3-piperidinyl)-, (E)-2-butenedioate (1:1) (salt), 4-(1-(2-Phenylethyl)-3-piperidinyl)-1,2-benzenediol (E)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; 4-(1-phenethylpiperidin-3-yl)benzene-1,2-diol, RefChem:1052140
| Molecular Formula | C23H27NO6 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.2317 |
| Topological Polar Surface Area | 118.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.18384 |
| Heavy Atoms | 30 |
| Complexity | 849.25195 |
Chemical Identifiers
| CAS Number | 62033-52-7 |
|---|---|
| SMILES | C1CC(CN(C1)CCC2=CC=CC=C2)C3=CC(=C(C=C3)O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1052140 (CAS 62033-52-7), with molecular formula C23H27NO6 and molecular weight 413.18 g/mol. IUPAC: (E)-but-2-enedioic acid;4-[1-(2-phenylethyl)piperidin-3-yl]benzene-1,2-diol.
Chemical Property Profile of RefChem:1052140
Property Insights of RefChem:1052140
The XLogP value of 3.2317 indicates that RefChem:1052140 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052140. Following Lipinski's Rule of Five, RefChem:1052140 has 4 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:1052140?
The CAS number of RefChem:1052140 is 62033-52-7.
What is the molecular formula of RefChem:1052140?
The molecular formula of RefChem:1052140 is C23H27NO6.
What is the molecular weight of RefChem:1052140?
The molecular weight of RefChem:1052140 is 413.18 g/mol.
Where can I buy RefChem:1052140?
You can request a quote for RefChem:1052140 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052140?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.