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Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate
TL;DR: Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate (CAS 681840-46-0) is a chemical compound with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate
Also Known As: ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate, ethyl 3-[(3-methylphenyl)formamido]-3-(3-nitrophenyl)propanoate, A2891/0121769, ethyl 3-[(3-methylphenyl)carbonylamino]-3-(3-nitrophenyl)propanoate, ethyl 3-{[(3-methylphenyl)carbonyl]amino}-3-(3-nitrophenyl)propanoate
| Molecular Formula | C19H20N2O5 |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 3.32752 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.1372 |
| Heavy Atoms | 26 |
| Complexity | 819.0817 |
Chemical Identifiers
| CAS Number | 681840-46-0 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC(=C2)C |
Product Overview
Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate (CAS 681840-46-0), with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol. IUPAC: ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate.
Chemical Property Profile of Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate
Property Insights of Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate
The XLogP value of 3.32752 indicates that Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate has 1 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 Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate?
The CAS number of Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate is 681840-46-0.
What is the molecular formula of Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate?
The molecular formula of Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate is C19H20N2O5.
What is the molecular weight of Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate?
The molecular weight of Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate is 356.14 g/mol.
Where can I buy Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate?
You can request a quote for Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.