Propan-2-yl 2-nitrobenzoate
TL;DR: Propan-2-yl 2-nitrobenzoate (CAS 947-80-8) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-nitrobenzoate
Also Known As: propan-2-yl 2-nitrobenzoate, ISOPROPYL 2-NITROBENZOATE, 1-Methylethyl 2-nitrobenzoate, 2-Nitrobenzoic acid isopropyl ester, J2.523.756K
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.16 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 386.7637 |
Chemical Identifiers
| CAS Number | 947-80-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
Propan-2-yl 2-nitrobenzoate (CAS 947-80-8), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: propan-2-yl 2-nitrobenzoate.
Chemical Property Profile of Propan-2-yl 2-nitrobenzoate
Property Insights of Propan-2-yl 2-nitrobenzoate
The XLogP value of 2.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 2-nitrobenzoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 2-nitrobenzoate. Following Lipinski's Rule of Five, Propan-2-yl 2-nitrobenzoate 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 Propan-2-yl 2-nitrobenzoate?
The CAS number of Propan-2-yl 2-nitrobenzoate is 947-80-8.
What is the molecular formula of Propan-2-yl 2-nitrobenzoate?
The molecular formula of Propan-2-yl 2-nitrobenzoate is C10H11NO4.
What is the molecular weight of Propan-2-yl 2-nitrobenzoate?
The molecular weight of Propan-2-yl 2-nitrobenzoate is 209.07 g/mol.
Where can I buy Propan-2-yl 2-nitrobenzoate?
You can request a quote for Propan-2-yl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.