2-Nitrobenzoylaminomalonate
TL;DR: 2-Nitrobenzoylaminomalonate (CAS 6290-47-7) is a chemical compound with molecular formula C14H16N2O7 and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-nitrobenzoyl)amino]propanedioate
Also Known As: 2-Nitrobenzoylaminomalonate, diethyl[(2-nitrobenzoyl)amino]propanedioate, Diethyl (2-nitrobenzamido)propanedioate, diethyl 2-[(2-nitrobenzoyl)amino]propanedioate, diethyl N-(2-nitrobenzoyl)aminomalonate
| Molecular Formula | C14H16N2O7 |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.09576 |
| Heavy Atoms | 23 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 6290-47-7 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | VVGBHNVYCLIIDE-UHFFFAOYSA-N |
Product Overview
2-Nitrobenzoylaminomalonate (CAS 6290-47-7), with molecular formula C14H16N2O7 and molecular weight 324.10 g/mol. IUPAC: diethyl 2-[(2-nitrobenzoyl)amino]propanedioate.
Chemical Property Profile of 2-Nitrobenzoylaminomalonate
Property Insights of 2-Nitrobenzoylaminomalonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobenzoylaminomalonate. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzoylaminomalonate. Following Lipinski's Rule of Five, 2-Nitrobenzoylaminomalonate 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 2-Nitrobenzoylaminomalonate?
The CAS number of 2-Nitrobenzoylaminomalonate is 6290-47-7.
What is the molecular formula of 2-Nitrobenzoylaminomalonate?
The molecular formula of 2-Nitrobenzoylaminomalonate is C14H16N2O7.
What is the molecular weight of 2-Nitrobenzoylaminomalonate?
The molecular weight of 2-Nitrobenzoylaminomalonate is 324.10 g/mol.
Where can I buy 2-Nitrobenzoylaminomalonate?
You can request a quote for 2-Nitrobenzoylaminomalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrobenzoylaminomalonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrobenzoylaminomalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.