RefChem:1096762
TL;DR: RefChem:1096762 (CAS 130820-45-0) is a chemical compound with molecular formula C26H32N2O4S and molecular weight 468.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanethioamide
Also Known As: N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)propanethioamide (E)-2-butenedioate (1:1), Propanethioamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; N-(1-phenethylpiperidin-4-yl)-N-phenylpropanethioamide, RefChem:1096762
| Molecular Formula | C26H32N2O4S |
|---|---|
| Molecular Weight | 468.21 g/mol |
| LogP | 4.6493 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.20828 |
| Heavy Atoms | 33 |
| Complexity | 894.4038 |
Chemical Identifiers
| CAS Number | 130820-45-0 |
|---|---|
| SMILES | CCC(=S)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096762 (CAS 130820-45-0), with molecular formula C26H32N2O4S and molecular weight 468.21 g/mol. IUPAC: (E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanethioamide.
Chemical Property Profile of RefChem:1096762
Property Insights of RefChem:1096762
The XLogP value of 4.6493 indicates that RefChem:1096762 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096762. Following Lipinski's Rule of Five, RefChem:1096762 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:1096762?
The CAS number of RefChem:1096762 is 130820-45-0.
What is the molecular formula of RefChem:1096762?
The molecular formula of RefChem:1096762 is C26H32N2O4S.
What is the molecular weight of RefChem:1096762?
The molecular weight of RefChem:1096762 is 468.21 g/mol.
Where can I buy RefChem:1096762?
You can request a quote for RefChem:1096762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096762?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.