3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
TL;DR: 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile (CAS 327104-77-8) is a chemical compound with molecular formula C18H10N2O2S and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
Also Known As: Sirtuin modulator 4, 2-(Benzo[d]thiazol-2-yl)-3-(benzofuran-2-yl)-3-oxopropanenitrile, 3-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile, (2Z)-3-(1-benzofuran-2-yl)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxopropanenitrile, (2Z)-3-(2-benzofuranyl)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxopropanenitrile
| Molecular Formula | C18H10N2O2S |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 4.53258 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0463 |
| Heavy Atoms | 23 |
| Complexity | 1005.20807 |
Chemical Identifiers
| CAS Number | 327104-77-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3 |
Product Overview
3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile (CAS 327104-77-8), with molecular formula C18H10N2O2S and molecular weight 318.05 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
Property Insights of 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
The XLogP value of 4.53258 indicates that 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile 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 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile. Following Lipinski's Rule of Five, 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile 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 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile?
The CAS number of 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile is 327104-77-8.
What is the molecular formula of 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile?
The molecular formula of 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile is C18H10N2O2S.
What is the molecular weight of 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile?
The molecular weight of 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile is 318.05 g/mol.
Where can I buy 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile?
You can request a quote for 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.