RefChem:1056713
TL;DR: RefChem:1056713 (CAS 80649-53-2) is a chemical compound with molecular formula C25H36N2O5 and molecular weight 444.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide
Also Known As: C21H32N2O.C4H4O4.1/2H2O, N-(1-(4-Cyclopentylphenyl)ethyl)-N-methylpiperidinoacetamide hydrogen maleate hemihydrate, 1-Piperidineacetamide, N-(1-(4-cyclopentylphenyl)ethyl)-N-methyl-, (Z)-2-butenedioate, hydrate (2:2:1), C21-H32-N2-O.C4-H4-O4.1/2H2-O, (E)-but-2-enedioic acid; N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide
| Molecular Formula | C25H36N2O5 |
|---|---|
| Molecular Weight | 444.26 g/mol |
| LogP | 4.0613 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.26242 |
| Heavy Atoms | 32 |
| Complexity | 762.0269 |
Chemical Identifiers
| CAS Number | 80649-53-2 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C2CCCC2)N(C)C(=O)CN3CCCCC3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056713 (CAS 80649-53-2), with molecular formula C25H36N2O5 and molecular weight 444.26 g/mol. IUPAC: (E)-but-2-enedioic acid;N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide.
Chemical Property Profile of RefChem:1056713
Property Insights of RefChem:1056713
The XLogP value of 4.0613 indicates that RefChem:1056713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056713. Following Lipinski's Rule of Five, RefChem:1056713 has 2 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:1056713?
The CAS number of RefChem:1056713 is 80649-53-2.
What is the molecular formula of RefChem:1056713?
The molecular formula of RefChem:1056713 is C25H36N2O5.
What is the molecular weight of RefChem:1056713?
The molecular weight of RefChem:1056713 is 444.26 g/mol.
Where can I buy RefChem:1056713?
You can request a quote for RefChem:1056713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056713?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.