5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one
TL;DR: 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one (CAS 3889-13-2) is a chemical compound with molecular formula C7H4N2O4 and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-3H-1,3-benzoxazol-2-one
Also Known As: 5-Nitrobenzo[d]oxazol-2(3H)-one, 5-nitro-2,3-dihydro-1,3-benzoxazol-2-one, 5-nitro-1,3-benzoxazol-2(3H)-one, 5-nitro-3H-1,3-benzoxazol-2-one, 5-NITRO-3H-BENZOOXAZOL-2-ONE
| Molecular Formula | C7H4N2O4 |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.0171 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 3889-13-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)O2 |
| InChIKey | UTQPEXLRBRAERQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one (CAS 3889-13-2), with molecular formula C7H4N2O4 and molecular weight 180.02 g/mol. IUPAC: 5-nitro-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one
Property Insights of 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one. Following Lipinski's Rule of Five, 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one has 1 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-Nitro-2,3-dihydro-1,3-benzoxazol-2-one?
The CAS number of 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one is 3889-13-2.
What is the molecular formula of 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one?
The molecular formula of 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one is C7H4N2O4.
What is the molecular weight of 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one?
The molecular weight of 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one is 180.02 g/mol.
Where can I buy 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one?
You can request a quote for 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.