2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile (CAS 836664-23-4) is a chemical compound with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile
Also Known As: 2-(1,3-benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile, F1762-0539, 2-(1,3-benzothiazol-2-yl)-5-(5-methyl-2-furyl)-3-oxopentanenitrile, 2-benzothiazol-2-yl-5-(5-methyl(2-furyl))-3-oxopentanenitrile, 2-(benzo[d]thiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile
| Molecular Formula | C17H14N2O2S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 4.0068 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.0776 |
| Heavy Atoms | 22 |
| Complexity | 823.7965 |
Chemical Identifiers
| CAS Number | 836664-23-4 |
|---|---|
| SMILES | CC1=CC=C(O1)CCC(=O)C(C#N)C2=NC3=CC=CC=C3S2 |
Product Overview
2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile (CAS 836664-23-4), with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile
The XLogP value of 4.0068 indicates that 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile has 0 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 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile is 836664-23-4.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile is C17H14N2O2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile is 310.08 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.