4-Nitrobenzene-1,2-diyl diacetate
TL;DR: 4-Nitrobenzene-1,2-diyl diacetate (CAS 36651-36-2) is a chemical compound with molecular formula C10H9NO6 and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-4-nitrophenyl) acetate
Also Known As: 4-nitrobenzene-1,2-diyl diacetate, (2-acetyloxy-4-nitrophenyl) acetate, 4-Nitro-1,2-phenylene diacetate, 4-nitro-1,2-benzenediol diacetate, (2-acetyloxy-5-nitro-phenyl) acetate
| Molecular Formula | C10H9NO6 |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.04298 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 36651-36-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])OC(=O)C |
| InChIKey | NLAIMNFOYOGBPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzene-1,2-diyl diacetate (CAS 36651-36-2), with molecular formula C10H9NO6 and molecular weight 239.04 g/mol. IUPAC: (2-acetyloxy-4-nitrophenyl) acetate.
Chemical Property Profile of 4-Nitrobenzene-1,2-diyl diacetate
Property Insights of 4-Nitrobenzene-1,2-diyl diacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzene-1,2-diyl diacetate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzene-1,2-diyl diacetate. Following Lipinski's Rule of Five, 4-Nitrobenzene-1,2-diyl diacetate has 0 hydrogen bond donor(s) and 6 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 4-Nitrobenzene-1,2-diyl diacetate?
The CAS number of 4-Nitrobenzene-1,2-diyl diacetate is 36651-36-2.
What is the molecular formula of 4-Nitrobenzene-1,2-diyl diacetate?
The molecular formula of 4-Nitrobenzene-1,2-diyl diacetate is C10H9NO6.
What is the molecular weight of 4-Nitrobenzene-1,2-diyl diacetate?
The molecular weight of 4-Nitrobenzene-1,2-diyl diacetate is 239.04 g/mol.
Where can I buy 4-Nitrobenzene-1,2-diyl diacetate?
You can request a quote for 4-Nitrobenzene-1,2-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzene-1,2-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzene-1,2-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.