(2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate
TL;DR: (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate (CAS 1031191-81-7) is a chemical compound with molecular formula C16H11ClN2O6 and molecular weight 362.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate
Also Known As: (2-benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate, 2-Benzamido-2-oxoethyl 4-chloro-2-nitrobenzoate
| Molecular Formula | C16H11ClN2O6 |
|---|---|
| Molecular Weight | 362.03 g/mol |
| LogP | 2.3616 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.03058 |
| Heavy Atoms | 25 |
| Complexity | 837.7735 |
Chemical Identifiers
| CAS Number | 1031191-81-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
(2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate (CAS 1031191-81-7), with molecular formula C16H11ClN2O6 and molecular weight 362.03 g/mol. IUPAC: (2-benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate.
Chemical Property Profile of (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate
Property Insights of (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate
The XLogP value of 2.3616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate. Following Lipinski's Rule of Five, (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate has 1 hydrogen bond donor(s) and 6 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-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate?
The CAS number of (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate is 1031191-81-7.
What is the molecular formula of (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate?
The molecular formula of (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate is C16H11ClN2O6.
What is the molecular weight of (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate?
The molecular weight of (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate is 362.03 g/mol.
Where can I buy (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate?
You can request a quote for (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.