5-Chloro-2-methyl-6-nitro-1,3-benzoxazole
TL;DR: 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole (CAS 13452-16-9) is a chemical compound with molecular formula C8H5ClN2O3 and molecular weight 212.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methyl-6-nitro-1,3-benzoxazole
Also Known As: 5-chloro-2-methyl-6-nitro-1,3-benzoxazole, 5-Chloro-2-methyl-6-nitrobenzo[d]oxazole, 5-chloro-2-methyl-6-nitrobenzoxazole, 3869AD, 2-Methyl-5-chlor-6-nitro-benzoxazol
| Molecular Formula | C8H5ClN2O3 |
|---|---|
| Molecular Weight | 212.00 g/mol |
| LogP | 2.69782 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.99887 |
| Heavy Atoms | 14 |
| Complexity | 520.5259 |
Chemical Identifiers
| CAS Number | 13452-16-9 |
|---|---|
| SMILES | CC1=NC2=CC(=C(C=C2O1)[N+](=O)[O-])Cl |
Product Overview
5-Chloro-2-methyl-6-nitro-1,3-benzoxazole (CAS 13452-16-9), with molecular formula C8H5ClN2O3 and molecular weight 212.00 g/mol. IUPAC: 5-chloro-2-methyl-6-nitro-1,3-benzoxazole.
Chemical Property Profile of 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole
Property Insights of 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole
The XLogP value of 2.69782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole. Following Lipinski's Rule of Five, 5-Chloro-2-methyl-6-nitro-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-methyl-6-nitro-1,3-benzoxazole?
The CAS number of 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole is 13452-16-9.
What is the molecular formula of 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole?
The molecular formula of 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole is C8H5ClN2O3.
What is the molecular weight of 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole?
The molecular weight of 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole is 212.00 g/mol.
Where can I buy 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole?
You can request a quote for 5-Chloro-2-methyl-6-nitro-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-methyl-6-nitro-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-methyl-6-nitro-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.