Methyl (3-nitrophenyl) carbonate
TL;DR: Methyl (3-nitrophenyl) carbonate (CAS 17175-17-6) 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.
methyl (3-nitrophenyl) carbonate
Also Known As: methyl (3-nitrophenyl) carbonate, Methyl 3-nitrophenyl carbonate, Methyl 3-nitrophenyl carbonate #, (3-Nitrophenoxy)(methoxy) ketone, Carbonic acid methyl 3-nitrophenyl ester
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 2.2 |
| 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 | 224.0 |
Chemical Identifiers
| CAS Number | 17175-17-6 |
|---|---|
| SMILES | COC(=O)OC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | ZYICMEKHDJABCI-UHFFFAOYSA-N |
Product Overview
Methyl (3-nitrophenyl) carbonate (CAS 17175-17-6), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: methyl (3-nitrophenyl) carbonate.
Chemical Property Profile of Methyl (3-nitrophenyl) carbonate
Property Insights of Methyl (3-nitrophenyl) carbonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3-nitrophenyl) carbonate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (3-nitrophenyl) carbonate. Following Lipinski's Rule of Five, Methyl (3-nitrophenyl) 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 Methyl (3-nitrophenyl) carbonate?
The CAS number of Methyl (3-nitrophenyl) carbonate is 17175-17-6.
What is the molecular formula of Methyl (3-nitrophenyl) carbonate?
The molecular formula of Methyl (3-nitrophenyl) carbonate is C8H7NO5.
What is the molecular weight of Methyl (3-nitrophenyl) carbonate?
The molecular weight of Methyl (3-nitrophenyl) carbonate is 197.03 g/mol.
Where can I buy Methyl (3-nitrophenyl) carbonate?
You can request a quote for Methyl (3-nitrophenyl) carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3-nitrophenyl) carbonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3-nitrophenyl) carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.