1-Nitrodibenzofuran
TL;DR: 1-Nitrodibenzofuran (CAS 87812-99-5) 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.
1-nitrodibenzofuran
Also Known As: 1-Nitrodibenzofuran, 1-nitrodibenzo[b,d]furan, nitrodibenzofuran, Dibenzofuran, 1-nitro-, 3-nitro-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C12H7NO3 |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 3.5 |
| 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 | 87812-99-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C=CC=C3O2)[N+](=O)[O-] |
| InChIKey | AMKYSWHDHALJOT-UHFFFAOYSA-N |
Product Overview
1-Nitrodibenzofuran (CAS 87812-99-5), with molecular formula C12H7NO3 and molecular weight 213.04 g/mol. IUPAC: 1-nitrodibenzofuran.
Chemical Property Profile of 1-Nitrodibenzofuran
Property Insights of 1-Nitrodibenzofuran
The XLogP value of 3.5 indicates that 1-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, 1-Nitrodibenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-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 1-Nitrodibenzofuran?
The CAS number of 1-Nitrodibenzofuran is 87812-99-5.
What is the molecular formula of 1-Nitrodibenzofuran?
The molecular formula of 1-Nitrodibenzofuran is C12H7NO3.
What is the molecular weight of 1-Nitrodibenzofuran?
The molecular weight of 1-Nitrodibenzofuran is 213.04 g/mol.
Where can I buy 1-Nitrodibenzofuran?
You can request a quote for 1-Nitrodibenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitrodibenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitrodibenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.