o-Nitrobenzoic anhydride
TL;DR: o-Nitrobenzoic anhydride (CAS 49619-45-6) is a chemical compound with molecular formula C14H8N2O7 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrobenzoyl) 2-nitrobenzoate
Also Known As: o-Nitrobenzoic anhydride, 2-Nitrophenyl anhydride, 2-Nitrobenzoic anhydride, 2-Nitrophenyl anhydride #, Bis(2-nitrobenzoic)anhydride
| Molecular Formula | C14H8N2O7 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.03314 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 49619-45-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC(=O)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SOFDTMPXXZJJMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Nitrobenzoic anhydride (CAS 49619-45-6), with molecular formula C14H8N2O7 and molecular weight 316.03 g/mol. IUPAC: (2-nitrobenzoyl) 2-nitrobenzoate.
Chemical Property Profile of o-Nitrobenzoic anhydride
Property Insights of o-Nitrobenzoic anhydride
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Nitrobenzoic anhydride. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Nitrobenzoic anhydride. Following Lipinski's Rule of Five, o-Nitrobenzoic anhydride has 0 hydrogen bond donor(s) and 7 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 o-Nitrobenzoic anhydride?
The CAS number of o-Nitrobenzoic anhydride is 49619-45-6.
What is the molecular formula of o-Nitrobenzoic anhydride?
The molecular formula of o-Nitrobenzoic anhydride is C14H8N2O7.
What is the molecular weight of o-Nitrobenzoic anhydride?
The molecular weight of o-Nitrobenzoic anhydride is 316.03 g/mol.
Where can I buy o-Nitrobenzoic anhydride?
You can request a quote for o-Nitrobenzoic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Nitrobenzoic anhydride?
Yes, KEHONG BIO provides custom synthesis services for o-Nitrobenzoic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.