1,4-Dibutoxy-2-chloro-5-nitrobenzene
TL;DR: 1,4-Dibutoxy-2-chloro-5-nitrobenzene (CAS 89-30-5) is a chemical compound with molecular formula C14H20ClNO4 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dibutoxy-2-chloro-5-nitrobenzene
Also Known As: 1,4-Dibutoxy-2-chloro-5-nitrobenzene, Benzene, 1,4-dibutoxy-2-chloro-5-nitro-, 2,5-dibutoxy-4-chloronitrobenzene, 2,5-dibutoxy-4-nitrochlorobenzene, 1,4-dibutoxy-2-chlor-5-nitrobenzen
| Molecular Formula | C14H20ClNO4 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.1081 |
| Heavy Atoms | 20 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 89-30-5 |
|---|---|
| SMILES | CCCCOC1=CC(=C(C=C1[N+](=O)[O-])OCCCC)Cl |
| InChIKey | BFTZBYNTVYQUNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dibutoxy-2-chloro-5-nitrobenzene (CAS 89-30-5), with molecular formula C14H20ClNO4 and molecular weight 301.11 g/mol. IUPAC: 1,4-dibutoxy-2-chloro-5-nitrobenzene.
Chemical Property Profile of 1,4-Dibutoxy-2-chloro-5-nitrobenzene
Property Insights of 1,4-Dibutoxy-2-chloro-5-nitrobenzene
The XLogP value of 4.8 indicates that 1,4-Dibutoxy-2-chloro-5-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-chloro-5-nitrobenzene. Following Lipinski's Rule of Five, 1,4-Dibutoxy-2-chloro-5-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-chloro-5-nitrobenzene?
The CAS number of 1,4-Dibutoxy-2-chloro-5-nitrobenzene is 89-30-5.
What is the molecular formula of 1,4-Dibutoxy-2-chloro-5-nitrobenzene?
The molecular formula of 1,4-Dibutoxy-2-chloro-5-nitrobenzene is C14H20ClNO4.
What is the molecular weight of 1,4-Dibutoxy-2-chloro-5-nitrobenzene?
The molecular weight of 1,4-Dibutoxy-2-chloro-5-nitrobenzene is 301.11 g/mol.
Where can I buy 1,4-Dibutoxy-2-chloro-5-nitrobenzene?
You can request a quote for 1,4-Dibutoxy-2-chloro-5-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-chloro-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibutoxy-2-chloro-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.