1-Methyl-4-nitrosobenzene
TL;DR: 1-Methyl-4-nitrosobenzene (CAS 623-11-0) is a chemical compound with molecular formula C7H7NO and molecular weight 121.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitrosobenzene
Also Known As: p-Nitrosotoluene, 4-Nitrosotoluene, 1-Methyl-4-nitrosobenzene, p-Methylnitrosobenzene, 4-Methylnitrosobenzene
| Molecular Formula | C7H7NO |
|---|---|
| Molecular Weight | 121.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.052765 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 623-11-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=O |
| InChIKey | NYJYFSGMYHSTNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-nitrosobenzene (CAS 623-11-0), with molecular formula C7H7NO and molecular weight 121.05 g/mol. IUPAC: 1-methyl-4-nitrosobenzene.
Chemical Property Profile of 1-Methyl-4-nitrosobenzene
Property Insights of 1-Methyl-4-nitrosobenzene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-nitrosobenzene. With a topological polar surface area (TPSA) of 29.4 Ų, 1-Methyl-4-nitrosobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-nitrosobenzene 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-Methyl-4-nitrosobenzene?
The CAS number of 1-Methyl-4-nitrosobenzene is 623-11-0.
What is the molecular formula of 1-Methyl-4-nitrosobenzene?
The molecular formula of 1-Methyl-4-nitrosobenzene is C7H7NO.
What is the molecular weight of 1-Methyl-4-nitrosobenzene?
The molecular weight of 1-Methyl-4-nitrosobenzene is 121.05 g/mol.
Where can I buy 1-Methyl-4-nitrosobenzene?
You can request a quote for 1-Methyl-4-nitrosobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-nitrosobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-nitrosobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.