2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole
TL;DR: 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole (CAS 330633-88-0) is a chemical compound with molecular formula C13H7ClN2O3S and molecular weight 305.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-nitrophenyl)sulfanyl-1,3-benzoxazole
Also Known As: 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole, BAS 00805363, 2-(5-chloro-2-nitrophenyl)sulfanyl-1,3-benzoxazole, 2-benzoxazol-2-ylthio-4-chloro-1-nitrobenzene, 2-((5-chloro-2-nitrophenyl)thio)benzo[d]oxazole
| Molecular Formula | C13H7ClN2O3S |
|---|---|
| Molecular Weight | 305.99 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.9866 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 330633-88-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SC3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
| InChIKey | CODBFXKDLFMXTO-UHFFFAOYSA-N |
Product Overview
2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole (CAS 330633-88-0), with molecular formula C13H7ClN2O3S and molecular weight 305.99 g/mol. IUPAC: 2-(5-chloro-2-nitrophenyl)sulfanyl-1,3-benzoxazole.
Chemical Property Profile of 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole
Property Insights of 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole
The XLogP value of 4.6 indicates that 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole. Following Lipinski's Rule of Five, 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole 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-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole?
The CAS number of 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole is 330633-88-0.
What is the molecular formula of 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole?
The molecular formula of 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole is C13H7ClN2O3S.
What is the molecular weight of 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole?
The molecular weight of 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole is 305.99 g/mol.
Where can I buy 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole?
You can request a quote for 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Chloro-2-nitro-phenylsulfanyl)-benzooxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.