3-Nitrodibenzofuran
TL;DR: 3-Nitrodibenzofuran (CAS 5410-97-9) is a chemical compound with molecular formula C12H7NO3 and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrodibenzofuran
Also Known As: 3-Nitrodibenzofuran, 3-Nitrodibenzo[b,d]furan, Dibenzofuran, 3-nitro-, null, 3-Nitro-dibenzofuran
| Molecular Formula | C12H7NO3 |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.04259 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 5410-97-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | UVFAHDAUVZRVCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrodibenzofuran (CAS 5410-97-9), with molecular formula C12H7NO3 and molecular weight 213.04 g/mol. IUPAC: 3-nitrodibenzofuran.
Chemical Property Profile of 3-Nitrodibenzofuran
Property Insights of 3-Nitrodibenzofuran
The XLogP value of 3.9 indicates that 3-Nitrodibenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 3-Nitrodibenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitrodibenzofuran has 0 hydrogen bond donor(s) and 3 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 3-Nitrodibenzofuran?
The CAS number of 3-Nitrodibenzofuran is 5410-97-9.
What is the molecular formula of 3-Nitrodibenzofuran?
The molecular formula of 3-Nitrodibenzofuran is C12H7NO3.
What is the molecular weight of 3-Nitrodibenzofuran?
The molecular weight of 3-Nitrodibenzofuran is 213.04 g/mol.
Where can I buy 3-Nitrodibenzofuran?
You can request a quote for 3-Nitrodibenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrodibenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrodibenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.