Benzamidomethyl 3-nitrobenzoate
TL;DR: Benzamidomethyl 3-nitrobenzoate (CAS 61652-85-5) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzamidomethyl 3-nitrobenzoate
Also Known As: Benzamidomethyl 3-nitrobenzoate, N-Benzoyloxymethyl-benzamid, Benzamide, N-[[(3-nitrobenzoyl)oxy]methyl]-
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.1391 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 700.0888 |
Chemical Identifiers
| CAS Number | 61652-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCOC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Benzamidomethyl 3-nitrobenzoate (CAS 61652-85-5), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: benzamidomethyl 3-nitrobenzoate.
Chemical Property Profile of Benzamidomethyl 3-nitrobenzoate
Property Insights of Benzamidomethyl 3-nitrobenzoate
The XLogP value of 2.1391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamidomethyl 3-nitrobenzoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamidomethyl 3-nitrobenzoate. Following Lipinski's Rule of Five, Benzamidomethyl 3-nitrobenzoate 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 Benzamidomethyl 3-nitrobenzoate?
The CAS number of Benzamidomethyl 3-nitrobenzoate is 61652-85-5.
What is the molecular formula of Benzamidomethyl 3-nitrobenzoate?
The molecular formula of Benzamidomethyl 3-nitrobenzoate is C15H12N2O5.
What is the molecular weight of Benzamidomethyl 3-nitrobenzoate?
The molecular weight of Benzamidomethyl 3-nitrobenzoate is 300.07 g/mol.
Where can I buy Benzamidomethyl 3-nitrobenzoate?
You can request a quote for Benzamidomethyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamidomethyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzamidomethyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.