2'-Methoxy-4'-nitrobutyranilide
TL;DR: 2'-Methoxy-4'-nitrobutyranilide (CAS 79-99-2) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxy-4-nitrophenyl)butanamide
Also Known As: 2'-METHOXY-4'-NITROBUTYRANILIDE, n-(2-methoxy-4-nitrophenyl)butanamide, N-(2-Methoxy-4-nitrophenyl)butyramide, Butanamide, N-(2-methoxy-4-nitrophenyl)-, N-(2-Methoxy-4-nitrophenyl)butanimidic acid
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 79-99-2 |
|---|---|
| SMILES | CCCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC |
| InChIKey | QYTAXIIQSIQLGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Methoxy-4'-nitrobutyranilide (CAS 79-99-2), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: N-(2-methoxy-4-nitrophenyl)butanamide.
Chemical Property Profile of 2'-Methoxy-4'-nitrobutyranilide
Property Insights of 2'-Methoxy-4'-nitrobutyranilide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Methoxy-4'-nitrobutyranilide. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Methoxy-4'-nitrobutyranilide. Following Lipinski's Rule of Five, 2'-Methoxy-4'-nitrobutyranilide has 1 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 2'-Methoxy-4'-nitrobutyranilide?
The CAS number of 2'-Methoxy-4'-nitrobutyranilide is 79-99-2.
What is the molecular formula of 2'-Methoxy-4'-nitrobutyranilide?
The molecular formula of 2'-Methoxy-4'-nitrobutyranilide is C11H14N2O4.
What is the molecular weight of 2'-Methoxy-4'-nitrobutyranilide?
The molecular weight of 2'-Methoxy-4'-nitrobutyranilide is 238.10 g/mol.
Where can I buy 2'-Methoxy-4'-nitrobutyranilide?
You can request a quote for 2'-Methoxy-4'-nitrobutyranilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Methoxy-4'-nitrobutyranilide?
Yes, KEHONG BIO provides custom synthesis services for 2'-Methoxy-4'-nitrobutyranilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.