4-Nitro-1,2-dipropoxybenzene
TL;DR: 4-Nitro-1,2-dipropoxybenzene (CAS 91645-47-5) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1,2-dipropoxybenzene
Also Known As: 4-nitro-1,2-dipropoxy-benzene, 4-nitro-1,2-dipropoxybenzene
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 3.1724 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 378.76843 |
Chemical Identifiers
| CAS Number | 91645-47-5 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)[N+](=O)[O-])OCCC |
Product Overview
4-Nitro-1,2-dipropoxybenzene (CAS 91645-47-5), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: 4-nitro-1,2-dipropoxybenzene.
Chemical Property Profile of 4-Nitro-1,2-dipropoxybenzene
Property Insights of 4-Nitro-1,2-dipropoxybenzene
The XLogP value of 3.1724 indicates that 4-Nitro-1,2-dipropoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1,2-dipropoxybenzene. Following Lipinski's Rule of Five, 4-Nitro-1,2-dipropoxybenzene 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 4-Nitro-1,2-dipropoxybenzene?
The CAS number of 4-Nitro-1,2-dipropoxybenzene is 91645-47-5.
What is the molecular formula of 4-Nitro-1,2-dipropoxybenzene?
The molecular formula of 4-Nitro-1,2-dipropoxybenzene is C12H17NO4.
What is the molecular weight of 4-Nitro-1,2-dipropoxybenzene?
The molecular weight of 4-Nitro-1,2-dipropoxybenzene is 239.12 g/mol.
Where can I buy 4-Nitro-1,2-dipropoxybenzene?
You can request a quote for 4-Nitro-1,2-dipropoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-1,2-dipropoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1,2-dipropoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.