4-Nitroso-2,1-benzoxazol-5-ol
TL;DR: 4-Nitroso-2,1-benzoxazol-5-ol (CAS 454466-58-1) is a chemical compound with molecular formula C7H4N2O3 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitroso-2,1-benzoxazol-5-ol
Also Known As: 4-nitrosobenzo[c]isoxazol-5-ol, 4-nitroso-2,1-benzoxazol-5-ol, 2,1-Benzisoxazole-4,5-dione,4-oxime, 2,1-Benzisoxazole-4,5-dione,4-oxime, -, J1.715.765E
| Molecular Formula | C7H4N2O3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 1.9313 |
| Topological Polar Surface Area | 75.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.02219 |
| Heavy Atoms | 12 |
| Complexity | 435.14417 |
Chemical Identifiers
| CAS Number | 454466-58-1 |
|---|---|
| SMILES | C1=CC2=NOC=C2C(=C1O)N=O |
Product Overview
4-Nitroso-2,1-benzoxazol-5-ol (CAS 454466-58-1), with molecular formula C7H4N2O3 and molecular weight 164.02 g/mol. IUPAC: 4-nitroso-2,1-benzoxazol-5-ol.
Chemical Property Profile of 4-Nitroso-2,1-benzoxazol-5-ol
Property Insights of 4-Nitroso-2,1-benzoxazol-5-ol
The XLogP value of 1.9313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitroso-2,1-benzoxazol-5-ol. The TPSA of 75.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitroso-2,1-benzoxazol-5-ol. Following Lipinski's Rule of Five, 4-Nitroso-2,1-benzoxazol-5-ol has 1 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-Nitroso-2,1-benzoxazol-5-ol?
The CAS number of 4-Nitroso-2,1-benzoxazol-5-ol is 454466-58-1.
What is the molecular formula of 4-Nitroso-2,1-benzoxazol-5-ol?
The molecular formula of 4-Nitroso-2,1-benzoxazol-5-ol is C7H4N2O3.
What is the molecular weight of 4-Nitroso-2,1-benzoxazol-5-ol?
The molecular weight of 4-Nitroso-2,1-benzoxazol-5-ol is 164.02 g/mol.
Where can I buy 4-Nitroso-2,1-benzoxazol-5-ol?
You can request a quote for 4-Nitroso-2,1-benzoxazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitroso-2,1-benzoxazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitroso-2,1-benzoxazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.