Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate
TL;DR: Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate (CAS 329932-27-6) is a chemical compound with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-(2-phenylethylcarbamoyl)benzoate
Also Known As: methyl 3-nitro-5-(phenethylcarbamoyl)benzoate, methyl 3-nitro-5-[(2-phenylethyl)carbamoyl]benzoate, methyl 3-nitro-5-[N-(2-phenylethyl)carbamoyl]benzoate, METHYL 3-NITRO-5-[(PHENETHYLAMINO)CARBONYL]BENZOATE
| Molecular Formula | C17H16N2O5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.3539 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.10593 |
| Heavy Atoms | 24 |
| Complexity | 758.8312 |
Chemical Identifiers
| CAS Number | 329932-27-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate (CAS 329932-27-6), with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol. IUPAC: methyl 3-nitro-5-(2-phenylethylcarbamoyl)benzoate.
Chemical Property Profile of Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate
Property Insights of Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate
The XLogP value of 2.3539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate 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 Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate?
The CAS number of Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate is 329932-27-6.
What is the molecular formula of Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate?
The molecular formula of Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate is C17H16N2O5.
What is the molecular weight of Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate?
The molecular weight of Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate is 328.11 g/mol.
Where can I buy Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate?
You can request a quote for Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-5-(phenethylcarbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.