4-Butoxy-2-nitroaniline
TL;DR: 4-Butoxy-2-nitroaniline (CAS 3987-86-8) is a chemical compound with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-2-nitroaniline
Also Known As: 4-Butoxy-2-nitroaniline, 4-butoxy-3-nitroaniline, Benzenamine,4-butoxy-2-nitro-, 2-Amino-5-butoxynitrobenzene, 4-butoxy-2-nitrophenylamine
| Molecular Formula | C10H14N2O3 |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 2.3559 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.10045 |
| Heavy Atoms | 15 |
| Complexity | 352.52078 |
Chemical Identifiers
| CAS Number | 3987-86-8 |
|---|---|
| SMILES | CCCCOC1=CC(=C(C=C1)N)[N+](=O)[O-] |
Product Overview
4-Butoxy-2-nitroaniline (CAS 3987-86-8), with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol. IUPAC: 4-butoxy-2-nitroaniline.
Chemical Property Profile of 4-Butoxy-2-nitroaniline
Property Insights of 4-Butoxy-2-nitroaniline
The XLogP value of 2.3559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butoxy-2-nitroaniline. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butoxy-2-nitroaniline. Following Lipinski's Rule of Five, 4-Butoxy-2-nitroaniline has 1 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 4-Butoxy-2-nitroaniline?
The CAS number of 4-Butoxy-2-nitroaniline is 3987-86-8.
What is the molecular formula of 4-Butoxy-2-nitroaniline?
The molecular formula of 4-Butoxy-2-nitroaniline is C10H14N2O3.
What is the molecular weight of 4-Butoxy-2-nitroaniline?
The molecular weight of 4-Butoxy-2-nitroaniline is 210.10 g/mol.
Where can I buy 4-Butoxy-2-nitroaniline?
You can request a quote for 4-Butoxy-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxy-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxy-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.