Ethyl (3-methyl-4-nitrophenyl) carbonate
TL;DR: Ethyl (3-methyl-4-nitrophenyl) carbonate (CAS 27997-63-3) is a chemical compound with molecular formula C10H11NO5 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3-methyl-4-nitrophenyl) carbonate
Also Known As: ethyl 3-methyl-4-nitrophenyl carbonate, ethyl (3-methyl-4-nitrophenyl) carbonate, Ethyl (3-methyl-4-nitro-phenyl) Carbonate
| Molecular Formula | C10H11NO5 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 2.43852 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.06372 |
| Heavy Atoms | 16 |
| Complexity | 415.67047 |
Chemical Identifiers
| CAS Number | 27997-63-3 |
|---|---|
| SMILES | CCOC(=O)OC1=CC(=C(C=C1)[N+](=O)[O-])C |
Product Overview
Ethyl (3-methyl-4-nitrophenyl) carbonate (CAS 27997-63-3), with molecular formula C10H11NO5 and molecular weight 225.06 g/mol. IUPAC: ethyl (3-methyl-4-nitrophenyl) carbonate.
Chemical Property Profile of Ethyl (3-methyl-4-nitrophenyl) carbonate
Property Insights of Ethyl (3-methyl-4-nitrophenyl) carbonate
The XLogP value of 2.43852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-methyl-4-nitrophenyl) carbonate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3-methyl-4-nitrophenyl) carbonate. Following Lipinski's Rule of Five, Ethyl (3-methyl-4-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 Ethyl (3-methyl-4-nitrophenyl) carbonate?
The CAS number of Ethyl (3-methyl-4-nitrophenyl) carbonate is 27997-63-3.
What is the molecular formula of Ethyl (3-methyl-4-nitrophenyl) carbonate?
The molecular formula of Ethyl (3-methyl-4-nitrophenyl) carbonate is C10H11NO5.
What is the molecular weight of Ethyl (3-methyl-4-nitrophenyl) carbonate?
The molecular weight of Ethyl (3-methyl-4-nitrophenyl) carbonate is 225.06 g/mol.
Where can I buy Ethyl (3-methyl-4-nitrophenyl) carbonate?
You can request a quote for Ethyl (3-methyl-4-nitrophenyl) carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3-methyl-4-nitrophenyl) carbonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-methyl-4-nitrophenyl) carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.