1,4-Dibutoxy-2-nitrobenzene
TL;DR: 1,4-Dibutoxy-2-nitrobenzene (CAS 135-15-9) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dibutoxy-2-nitrobenzene
Also Known As: 1,4-Dibutoxy-2-nitrobenzene, 2,5-Di-n-butoxynitrobenzene, 1,4-Di-n-butoxy-2-nitrobenzene, 2,5-Dibutoxy-1-nitrobenzene, Benzene,4-dibutoxy-2-nitro-
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 135-15-9 |
|---|---|
| SMILES | CCCCOC1=CC(=C(C=C1)OCCCC)[N+](=O)[O-] |
| InChIKey | UVLGMZCLSQBSPZ-UHFFFAOYSA-N |
Product Overview
1,4-Dibutoxy-2-nitrobenzene (CAS 135-15-9), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: 1,4-dibutoxy-2-nitrobenzene.
Chemical Property Profile of 1,4-Dibutoxy-2-nitrobenzene
Property Insights of 1,4-Dibutoxy-2-nitrobenzene
The XLogP value of 4.6 indicates that 1,4-Dibutoxy-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dibutoxy-2-nitrobenzene. Following Lipinski's Rule of Five, 1,4-Dibutoxy-2-nitrobenzene 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 1,4-Dibutoxy-2-nitrobenzene?
The CAS number of 1,4-Dibutoxy-2-nitrobenzene is 135-15-9.
What is the molecular formula of 1,4-Dibutoxy-2-nitrobenzene?
The molecular formula of 1,4-Dibutoxy-2-nitrobenzene is C14H21NO4.
What is the molecular weight of 1,4-Dibutoxy-2-nitrobenzene?
The molecular weight of 1,4-Dibutoxy-2-nitrobenzene is 267.15 g/mol.
Where can I buy 1,4-Dibutoxy-2-nitrobenzene?
You can request a quote for 1,4-Dibutoxy-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibutoxy-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibutoxy-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.