5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole
TL;DR: 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole (CAS 690672-38-9) is a chemical compound with molecular formula C14H9ClN2O3 and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole
Also Known As: 5-chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole, 5-chloro-2-(4-methyl-3-nitrophenyl)benzo[d]oxazole, Cambridge id 7041103
| Molecular Formula | C14H9ClN2O3 |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 4.36482 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.03018 |
| Heavy Atoms | 20 |
| Complexity | 826.3971 |
Chemical Identifiers
| CAS Number | 690672-38-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole (CAS 690672-38-9), with molecular formula C14H9ClN2O3 and molecular weight 288.03 g/mol. IUPAC: 5-chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole.
Chemical Property Profile of 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole
Property Insights of 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole
The XLogP value of 4.36482 indicates that 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole. Following Lipinski's Rule of Five, 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole has 0 hydrogen bond donor(s) and 4 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 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole?
The CAS number of 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole is 690672-38-9.
What is the molecular formula of 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole?
The molecular formula of 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole is C14H9ClN2O3.
What is the molecular weight of 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole?
The molecular weight of 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole is 288.03 g/mol.
Where can I buy 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole?
You can request a quote for 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(4-methyl-3-nitrophenyl)-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.