![2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile structure](/static/products/887/88735-45-9.png)
2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile
TL;DR: 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile (CAS 88735-45-9) 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.
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile
Also Known As: (2-cyanomethylthiazol-4-yl)coumarin, 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile, BAS 01020754, NCI60_030559, 2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acetonitrile
| Molecular Formula | C14H8N2O2S |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.03064 |
| Heavy Atoms | 19 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 88735-45-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)CC#N |
| InChIKey | WNOYVVGSHNVEQK-UHFFFAOYSA-N |
Product Overview
2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile (CAS 88735-45-9), with molecular formula C14H8N2O2S and molecular weight 268.03 g/mol. IUPAC: 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile.
Chemical Property Profile of 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile
Property Insights of 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile 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-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile?
The CAS number of 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile is 88735-45-9.
What is the molecular formula of 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile?
The molecular formula of 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile is C14H8N2O2S.
What is the molecular weight of 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile?
The molecular weight of 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile is 268.03 g/mol.
Where can I buy 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile?
You can request a quote for 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.