![Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate structure](/static/products/4782/478249-81-9.webp)
Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate
TL;DR: Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate (CAS 478249-81-9) is a chemical compound with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-methylphenyl)carbamoylamino]-3-(3-nitrophenyl)propanoate
Also Known As: Bionet1_004779, methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate, 9R-0603, methyl 3-[(4-methylphenyl)carbamoylamino]-3-(3-nitrophenyl)propanoate, methyl 3-{[(4-methylphenyl)carbamoyl]amino}-3-(3-nitrophenyl)propanoate
| Molecular Formula | C18H19N3O5 |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 3.32912 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.13248 |
| Heavy Atoms | 26 |
| Complexity | 804.7288 |
Chemical Identifiers
| CAS Number | 478249-81-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC(CC(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate (CAS 478249-81-9), with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol. IUPAC: methyl 3-[(4-methylphenyl)carbamoylamino]-3-(3-nitrophenyl)propanoate.
Chemical Property Profile of Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate
Property Insights of Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate
The XLogP value of 3.32912 indicates that Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate. Following Lipinski's Rule of Five, Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate has 2 hydrogen bond donor(s) and 5 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-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate?
The CAS number of Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate is 478249-81-9.
What is the molecular formula of Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate?
The molecular formula of Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate is C18H19N3O5.
What is the molecular weight of Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate?
The molecular weight of Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate is 357.13 g/mol.
Where can I buy Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate?
You can request a quote for Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-nitrophenyl)-3-[(4-toluidinocarbonyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.