2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile
TL;DR: 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile (CAS 304897-11-8) is a chemical compound with molecular formula C14H8N2O2S and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-3-hydroxyprop-2-enenitrile
Also Known As: Maybridge3_005468, IDI1_016855, AB00099255-01, 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile, AF-399/36911013
| Molecular Formula | C14H8N2O2S |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 3.83918 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.03064 |
| Heavy Atoms | 19 |
| Complexity | 761.33026 |
Chemical Identifiers
| CAS Number | 304897-11-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C(/C3=CC=CO3)\O)/C#N |
Product Overview
2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile (CAS 304897-11-8), with molecular formula C14H8N2O2S and molecular weight 268.03 g/mol. IUPAC: (Z)-2-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile
Property Insights of 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile
The XLogP value of 3.83918 indicates that 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile has 1 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(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile?
The CAS number of 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile is 304897-11-8.
What is the molecular formula of 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile?
The molecular formula of 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile is C14H8N2O2S.
What is the molecular weight of 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile?
The molecular weight of 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile is 268.03 g/mol.
Where can I buy 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile?
You can request a quote for 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile 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(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2(3H)-ylidene)-3-(2-furyl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.