Rubreserine
TL;DR: Rubreserine (CAS 18455-27-1) is a chemical compound with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide
Also Known As: Rubreserine, BAS 00776351, N-(3-((Furan-2-ylmethyl)amino)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)-4-methylbenzamide, N-[3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide
| Molecular Formula | C20H18N2O3S |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 3.73682 |
| Topological Polar Surface Area | 71.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.10382 |
| Heavy Atoms | 26 |
| Complexity | 895.2065 |
Chemical Identifiers
| CAS Number | 18455-27-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NCC3=CC=CO3 |
Product Overview
Rubreserine (CAS 18455-27-1), with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol. IUPAC: N-[3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide.
Chemical Property Profile of Rubreserine
Property Insights of Rubreserine
The XLogP value of 3.73682 indicates that Rubreserine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Rubreserine. Following Lipinski's Rule of Five, Rubreserine 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 Rubreserine?
The CAS number of Rubreserine is 18455-27-1.
What is the molecular formula of Rubreserine?
The molecular formula of Rubreserine is C20H18N2O3S.
What is the molecular weight of Rubreserine?
The molecular weight of Rubreserine is 366.10 g/mol.
Where can I buy Rubreserine?
You can request a quote for Rubreserine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubreserine?
Yes, KEHONG BIO provides custom synthesis services for Rubreserine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.