Methyl 2-methyl-2-(2-nitrophenyl)propanoate
TL;DR: Methyl 2-methyl-2-(2-nitrophenyl)propanoate (CAS 136764-87-9) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-2-(2-nitrophenyl)propanoate
Also Known As: Methyl 2-methyl-2-(2-nitrophenyl)propanoate, METHYL 2-METHYL-2-(2-NITROPHENYL)PROPIONATE, methyl 2-nitrophenyl-2-methylpropionate, Benzeneacetic acid, alpha,alpha-dimethyl-2-nitro-, methyl ester, Methyl2-methyl-2-(2-nitrophenyl)propanoate
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 136764-87-9 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1[N+](=O)[O-])C(=O)OC |
| InChIKey | OOARJEHFHURUIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methyl-2-(2-nitrophenyl)propanoate (CAS 136764-87-9), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: methyl 2-methyl-2-(2-nitrophenyl)propanoate.
Chemical Property Profile of Methyl 2-methyl-2-(2-nitrophenyl)propanoate
Property Insights of Methyl 2-methyl-2-(2-nitrophenyl)propanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methyl-2-(2-nitrophenyl)propanoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-methyl-2-(2-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Methyl 2-methyl-2-(2-nitrophenyl)propanoate has 0 hydrogen bond donor(s) and 4 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 2-methyl-2-(2-nitrophenyl)propanoate?
The CAS number of Methyl 2-methyl-2-(2-nitrophenyl)propanoate is 136764-87-9.
What is the molecular formula of Methyl 2-methyl-2-(2-nitrophenyl)propanoate?
The molecular formula of Methyl 2-methyl-2-(2-nitrophenyl)propanoate is C11H13NO4.
What is the molecular weight of Methyl 2-methyl-2-(2-nitrophenyl)propanoate?
The molecular weight of Methyl 2-methyl-2-(2-nitrophenyl)propanoate is 223.08 g/mol.
Where can I buy Methyl 2-methyl-2-(2-nitrophenyl)propanoate?
You can request a quote for Methyl 2-methyl-2-(2-nitrophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methyl-2-(2-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-2-(2-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.