1-Nitro-2-n-hexylbenzene
TL;DR: 1-Nitro-2-n-hexylbenzene (CAS 38409-64-2) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-2-nitrobenzene
Also Known As: 2-hexylnitrobenzene, n-hexylnitrobenzene, 1-Hexyl-2-nitrobenzene, 1-Nitro-2-hexylbenzene, 1-Nitro-2-n-hexylbenzene
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 38409-64-2 |
|---|---|
| SMILES | CCCCCCC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | NZQKLDMAINSOEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-2-n-hexylbenzene (CAS 38409-64-2), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 1-hexyl-2-nitrobenzene.
Chemical Property Profile of 1-Nitro-2-n-hexylbenzene
Property Insights of 1-Nitro-2-n-hexylbenzene
The XLogP value of 4.7 indicates that 1-Nitro-2-n-hexylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitro-2-n-hexylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-2-n-hexylbenzene has 0 hydrogen bond donor(s) and 2 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-Nitro-2-n-hexylbenzene?
The CAS number of 1-Nitro-2-n-hexylbenzene is 38409-64-2.
What is the molecular formula of 1-Nitro-2-n-hexylbenzene?
The molecular formula of 1-Nitro-2-n-hexylbenzene is C12H17NO2.
What is the molecular weight of 1-Nitro-2-n-hexylbenzene?
The molecular weight of 1-Nitro-2-n-hexylbenzene is 207.13 g/mol.
Where can I buy 1-Nitro-2-n-hexylbenzene?
You can request a quote for 1-Nitro-2-n-hexylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-2-n-hexylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-2-n-hexylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.