2-Butoxyethyl 4-nitrobenzoate
TL;DR: 2-Butoxyethyl 4-nitrobenzoate (CAS 72241-40-8) is a chemical compound with molecular formula C13H17NO5 and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxyethyl 4-nitrobenzoate
Also Known As: 2-Butoxyethyl 4-nitrobenzoate, 2-butoxyethyl4-nitrobenzoate, EINECS 276-514-6, Ethanol, 2-butoxy-,1-(4-nitrobenzoate), 4-Nitrobenzoic acid 2-(butyloxy)ethyl ester
| Molecular Formula | C13H17NO5 |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 2.5683 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 267.1107 |
| Heavy Atoms | 19 |
| Complexity | 415.5467 |
Chemical Identifiers
| CAS Number | 72241-40-8 |
|---|---|
| SMILES | CCCCOCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
2-Butoxyethyl 4-nitrobenzoate (CAS 72241-40-8), with molecular formula C13H17NO5 and molecular weight 267.11 g/mol. IUPAC: 2-butoxyethyl 4-nitrobenzoate.
Chemical Property Profile of 2-Butoxyethyl 4-nitrobenzoate
Property Insights of 2-Butoxyethyl 4-nitrobenzoate
The XLogP value of 2.5683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butoxyethyl 4-nitrobenzoate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butoxyethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-Butoxyethyl 4-nitrobenzoate 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 2-Butoxyethyl 4-nitrobenzoate?
The CAS number of 2-Butoxyethyl 4-nitrobenzoate is 72241-40-8.
What is the molecular formula of 2-Butoxyethyl 4-nitrobenzoate?
The molecular formula of 2-Butoxyethyl 4-nitrobenzoate is C13H17NO5.
What is the molecular weight of 2-Butoxyethyl 4-nitrobenzoate?
The molecular weight of 2-Butoxyethyl 4-nitrobenzoate is 267.11 g/mol.
Where can I buy 2-Butoxyethyl 4-nitrobenzoate?
You can request a quote for 2-Butoxyethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butoxyethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butoxyethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.