2-Nitrodibenzo(b,e)(1,4)dioxin
TL;DR: 2-Nitrodibenzo(b,e)(1,4)dioxin (CAS 38178-41-5) is a chemical compound with molecular formula C12H7NO4 and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrodibenzo-p-dioxin
Also Known As: 2-nitrooxanthrene, 2-Nitrodibenzo-p-dioxin, 2-Nitrodibenzo-4-dioxin, Nitrodibenzo-p-dioxin, 2-Nitro-dibenzo-p-dioxin
| Molecular Formula | C12H7NO4 |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.0375 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 38178-41-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC3=C(O2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | PBIXRFKWYPNCAB-UHFFFAOYSA-N |
Product Overview
2-Nitrodibenzo(b,e)(1,4)dioxin (CAS 38178-41-5), with molecular formula C12H7NO4 and molecular weight 229.04 g/mol. IUPAC: 2-nitrodibenzo-p-dioxin.
Chemical Property Profile of 2-Nitrodibenzo(b,e)(1,4)dioxin
Property Insights of 2-Nitrodibenzo(b,e)(1,4)dioxin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrodibenzo(b,e)(1,4)dioxin. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrodibenzo(b,e)(1,4)dioxin. Following Lipinski's Rule of Five, 2-Nitrodibenzo(b,e)(1,4)dioxin has 0 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 2-Nitrodibenzo(b,e)(1,4)dioxin?
The CAS number of 2-Nitrodibenzo(b,e)(1,4)dioxin is 38178-41-5.
What is the molecular formula of 2-Nitrodibenzo(b,e)(1,4)dioxin?
The molecular formula of 2-Nitrodibenzo(b,e)(1,4)dioxin is C12H7NO4.
What is the molecular weight of 2-Nitrodibenzo(b,e)(1,4)dioxin?
The molecular weight of 2-Nitrodibenzo(b,e)(1,4)dioxin is 229.04 g/mol.
Where can I buy 2-Nitrodibenzo(b,e)(1,4)dioxin?
You can request a quote for 2-Nitrodibenzo(b,e)(1,4)dioxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrodibenzo(b,e)(1,4)dioxin?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrodibenzo(b,e)(1,4)dioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.