Tert-butyl 3-(4-nitrophenyl)propanoate
TL;DR: Tert-butyl 3-(4-nitrophenyl)propanoate (CAS 103790-47-2) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(4-nitrophenyl)propanoate
Also Known As: Tert-butyl 3-(4-nitrophenyl)propanoate, Tert-butyl3-(4-nitrophenyl)propanoate, 1,1-Dimethylethyl 4-nitrobenzenepropanoate, 2-methyl-2-propanyl 3-(4-nitrophenyl)propanoate
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.8691 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 431.29962 |
Chemical Identifiers
| CAS Number | 103790-47-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Tert-butyl 3-(4-nitrophenyl)propanoate (CAS 103790-47-2), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: tert-butyl 3-(4-nitrophenyl)propanoate.
Chemical Property Profile of Tert-butyl 3-(4-nitrophenyl)propanoate
Property Insights of Tert-butyl 3-(4-nitrophenyl)propanoate
The XLogP value of 2.8691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-(4-nitrophenyl)propanoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 3-(4-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Tert-butyl 3-(4-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 Tert-butyl 3-(4-nitrophenyl)propanoate?
The CAS number of Tert-butyl 3-(4-nitrophenyl)propanoate is 103790-47-2.
What is the molecular formula of Tert-butyl 3-(4-nitrophenyl)propanoate?
The molecular formula of Tert-butyl 3-(4-nitrophenyl)propanoate is C13H17NO4.
What is the molecular weight of Tert-butyl 3-(4-nitrophenyl)propanoate?
The molecular weight of Tert-butyl 3-(4-nitrophenyl)propanoate is 251.12 g/mol.
Where can I buy Tert-butyl 3-(4-nitrophenyl)propanoate?
You can request a quote for Tert-butyl 3-(4-nitrophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-(4-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-(4-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.