4-(5-Nitro-2-benzoxazolyl)phenol
TL;DR: 4-(5-Nitro-2-benzoxazolyl)phenol (CAS 313554-21-1) is a chemical compound with molecular formula C13H8N2O4 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-nitro-1,3-benzoxazol-2-yl)phenol
Also Known As: 4-(5-Nitro-2-benzoxazolyl)phenol, 4-(5-Nitro-benzooxazol-2-yl)-phenol, BAS 03421196, 4-(5-NITRO-1,3-BENZOXAZOL-2-YL)PHENOL, 4-(5-nitro-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,5-dien-1-one
| Molecular Formula | C13H8N2O4 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0484 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 313554-21-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])O |
| InChIKey | LWOPYFCTRDOALO-UHFFFAOYSA-N |
Product Overview
4-(5-Nitro-2-benzoxazolyl)phenol (CAS 313554-21-1), with molecular formula C13H8N2O4 and molecular weight 256.05 g/mol. IUPAC: 4-(5-nitro-1,3-benzoxazol-2-yl)phenol.
Chemical Property Profile of 4-(5-Nitro-2-benzoxazolyl)phenol
Property Insights of 4-(5-Nitro-2-benzoxazolyl)phenol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Nitro-2-benzoxazolyl)phenol. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Nitro-2-benzoxazolyl)phenol. Following Lipinski's Rule of Five, 4-(5-Nitro-2-benzoxazolyl)phenol 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-(5-Nitro-2-benzoxazolyl)phenol?
The CAS number of 4-(5-Nitro-2-benzoxazolyl)phenol is 313554-21-1.
What is the molecular formula of 4-(5-Nitro-2-benzoxazolyl)phenol?
The molecular formula of 4-(5-Nitro-2-benzoxazolyl)phenol is C13H8N2O4.
What is the molecular weight of 4-(5-Nitro-2-benzoxazolyl)phenol?
The molecular weight of 4-(5-Nitro-2-benzoxazolyl)phenol is 256.05 g/mol.
Where can I buy 4-(5-Nitro-2-benzoxazolyl)phenol?
You can request a quote for 4-(5-Nitro-2-benzoxazolyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Nitro-2-benzoxazolyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Nitro-2-benzoxazolyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.