4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile
TL;DR: 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile (CAS 309281-73-0) is a chemical compound with molecular formula C14H7N3O3S and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile
Also Known As: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile, 4-(benzo[d]oxazol-2-ylthio)-3-nitrobenzonitrile, 4-benzoxazol-2-ylthio-3-nitrobenzenecarbonitrile
| Molecular Formula | C14H7N3O3S |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.0208 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 309281-73-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-] |
| InChIKey | AAMBIVWDDAAYHM-UHFFFAOYSA-N |
Product Overview
4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile (CAS 309281-73-0), with molecular formula C14H7N3O3S and molecular weight 297.02 g/mol. IUPAC: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile.
Chemical Property Profile of 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile
Property Insights of 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile
The XLogP value of 3.7 indicates that 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile has 0 hydrogen bond donor(s) and 6 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-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile?
The CAS number of 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile is 309281-73-0.
What is the molecular formula of 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile?
The molecular formula of 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile is C14H7N3O3S.
What is the molecular weight of 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile?
The molecular weight of 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile is 297.02 g/mol.
Where can I buy 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile?
You can request a quote for 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.