3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene
TL;DR: 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene (CAS 67823-49-8) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-2-nitrophenoxy)methyl]oxirane
Also Known As: MNEPB, 3-methyl-2-nitro-1- benzene, Cid 125673, 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene, ((3-Methyl-2-nitrophenoxy)methyl)oxirane
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 67823-49-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OCC2CO2)[N+](=O)[O-] |
| InChIKey | IYBXFWFKGBPYKO-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene (CAS 67823-49-8), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 2-[(3-methyl-2-nitrophenoxy)methyl]oxirane.
Chemical Property Profile of 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene
Property Insights of 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene. Following Lipinski's Rule of Five, 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene 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 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene?
The CAS number of 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene is 67823-49-8.
What is the molecular formula of 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene?
The molecular formula of 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene is C10H11NO4.
What is the molecular weight of 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene?
The molecular weight of 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene is 209.07 g/mol.
Where can I buy 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene?
You can request a quote for 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-nitro-1-(2,3-epoxypropoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.