(4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile
TL;DR: (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile (CAS 302918-03-2) is a chemical compound with molecular formula C11H7N3O2S and molecular weight 245.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile
Also Known As: (4-(3-NITROPHENYL)-1,3-THIAZOL-2-YL)ACETONITRILE, 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile, [4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile, [4-(3-nitro-phenyl)-thiazol-2-yl]-acetonitrile, 652-032-5
| Molecular Formula | C11H7N3O2S |
|---|---|
| Molecular Weight | 245.03 g/mol |
| LogP | 2.78438 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.0259 |
| Heavy Atoms | 17 |
| Complexity | 600.75916 |
Chemical Identifiers
| CAS Number | 302918-03-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)CC#N |
Product Overview
(4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile (CAS 302918-03-2), with molecular formula C11H7N3O2S and molecular weight 245.03 g/mol. IUPAC: 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile.
Chemical Property Profile of (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile
Property Insights of (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile
The XLogP value of 2.78438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile. Following Lipinski's Rule of Five, (4-(3-Nitrophenyl)-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 (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile?
The CAS number of (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile is 302918-03-2.
What is the molecular formula of (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile?
The molecular formula of (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile is C11H7N3O2S.
What is the molecular weight of (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile?
The molecular weight of (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile is 245.03 g/mol.
Where can I buy (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile?
You can request a quote for (4-(3-Nitrophenyl)-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 (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-(3-Nitrophenyl)-1,3-thiazol-2-YL)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.