4-Nitrophenyl phenyl carbonate
TL;DR: 4-Nitrophenyl phenyl carbonate (CAS 17175-11-0) is a chemical compound with molecular formula C13H9NO5 and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) phenyl carbonate
Also Known As: 4-Nitrophenyl phenyl carbonate, Carbonic acid phenyl(4-nitrophenyl) ester, (4-nitrophenyl) phenyl carbonate, Carbonic acid, 4-nitrophenyl phenyl ester, Carbonic acid, p-nitrophenyl phenyl ester
| Molecular Formula | C13H9NO5 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.04807 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 17175-11-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | IICMBPLBSCZBTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl phenyl carbonate (CAS 17175-11-0), with molecular formula C13H9NO5 and molecular weight 259.05 g/mol. IUPAC: (4-nitrophenyl) phenyl carbonate.
Chemical Property Profile of 4-Nitrophenyl phenyl carbonate
Property Insights of 4-Nitrophenyl phenyl carbonate
The XLogP value of 3.1 indicates that 4-Nitrophenyl phenyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl phenyl carbonate. Following Lipinski's Rule of Five, 4-Nitrophenyl phenyl carbonate has 0 hydrogen bond donor(s) and 5 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-Nitrophenyl phenyl carbonate?
The CAS number of 4-Nitrophenyl phenyl carbonate is 17175-11-0.
What is the molecular formula of 4-Nitrophenyl phenyl carbonate?
The molecular formula of 4-Nitrophenyl phenyl carbonate is C13H9NO5.
What is the molecular weight of 4-Nitrophenyl phenyl carbonate?
The molecular weight of 4-Nitrophenyl phenyl carbonate is 259.05 g/mol.
Where can I buy 4-Nitrophenyl phenyl carbonate?
You can request a quote for 4-Nitrophenyl phenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl phenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl phenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.