甲基-4-硝基苯基碳酸酯
TL;DR: 甲基-4-硝基苯基碳酸酯 (CAS 17175-16-5) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基-4-硝基苯基碳酸酯
methyl (4-nitrophenyl) carbonate
Also Known As: methyl (4-nitrophenyl) carbonate, Methyl-4-nitrophenylcarbonate, Methyl p-nitrophenyl carbonate, Methyl 4-nitrophenyl carbonate, Carbonic acid, methyl 4-nitrophenyl ester
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 17175-16-5 |
|---|---|
| SMILES | COC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BKNCSPZEGXUNTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基-4-硝基苯基碳酸酯 (CAS 17175-16-5), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: methyl (4-nitrophenyl) carbonate.
Chemical Property Profile of 甲基-4-硝基苯基碳酸酯
Property Insights of 甲基-4-硝基苯基碳酸酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基-4-硝基苯基碳酸酯. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲基-4-硝基苯基碳酸酯. Following Lipinski's Rule of Five, 甲基-4-硝基苯基碳酸酯 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 甲基-4-硝基苯基碳酸酯?
The CAS number of 甲基-4-硝基苯基碳酸酯 is 17175-16-5.
What is the molecular formula of 甲基-4-硝基苯基碳酸酯?
The molecular formula of 甲基-4-硝基苯基碳酸酯 is C8H7NO5.
What is the molecular weight of 甲基-4-硝基苯基碳酸酯?
The molecular weight of 甲基-4-硝基苯基碳酸酯 is 197.03 g/mol.
Where can I buy 甲基-4-硝基苯基碳酸酯?
You can request a quote for 甲基-4-硝基苯基碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基-4-硝基苯基碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 甲基-4-硝基苯基碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.