![Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate structure](/static/products/4953/495395-94-3.webp)
Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate
TL;DR: Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate (CAS 495395-94-3) is a chemical compound with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-3-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]benzoate
Also Known As: methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate, methyl 4-methyl-3-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]benzoate, methyl 4-methyl-3-(5-((4-methyl-2-nitrophenoxy)methyl)furan-2-carboxamido)benzoate, methyl 4-methyl-3-[({5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]benzoate, METHYL 4-METHYL-3-[({5-[(4-METHYL-2-NITROPHENOXY)METHYL]-2-FURYL}CARBONYL)AMINO]BENZOATE
| Molecular Formula | C22H20N2O7 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 4.42254 |
| Topological Polar Surface Area | 120.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.12704 |
| Heavy Atoms | 31 |
| Complexity | 1150.5112 |
Chemical Identifiers
| CAS Number | 495395-94-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C)[N+](=O)[O-] |
Product Overview
Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate (CAS 495395-94-3), with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol. IUPAC: methyl 4-methyl-3-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]benzoate.
Chemical Property Profile of Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate
Property Insights of Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate
The XLogP value of 4.42254 indicates that Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate. Following Lipinski's Rule of Five, Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate has 1 hydrogen bond donor(s) and 7 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 Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate?
The CAS number of Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate is 495395-94-3.
What is the molecular formula of Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate?
The molecular formula of Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate is C22H20N2O7.
What is the molecular weight of Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate?
The molecular weight of Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate is 424.13 g/mol.
Where can I buy Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate?
You can request a quote for Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[5-({2-nitro-4-methylphenoxy}methyl)-2-furoyl]amino}-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.