2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate
TL;DR: 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate (CAS 312947-65-2) is a chemical compound with molecular formula C15H9Br2ClN2O5 and molecular weight 489.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-amino-3,5-dibromobenzoate
Also Known As: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-amino-3,5-dibromobenzoate|2-(4-chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate|AK-918/12271005|SR-01000439131-1|2-{4-chloro-3-nitrophenyl}-2-oxoethyl 4-amino-3,5-dibromobenzoate
| Molecular Formula | C15H9Br2ClN2O5 |
|---|---|
| Molecular Weight | 489.86 g/mol |
| LogP | 4.3951 |
| Topological Polar Surface Area | 112.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.85666 |
| Heavy Atoms | 25 |
| Complexity | 865.2157 |
Chemical Identifiers
| CAS Number | 312947-65-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=C(C(=C2)Br)N)Br)[N+](=O)[O-])Cl |
Product Overview
2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate (CAS 312947-65-2), with molecular formula C15H9Br2ClN2O5 and molecular weight 489.86 g/mol. IUPAC: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-amino-3,5-dibromobenzoate.
Chemical Property Profile of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate
Property Insights of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate
The XLogP value of 4.3951 indicates that 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate. Following Lipinski's Rule of Five, 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate 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-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate?
The CAS number of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate is 312947-65-2.
What is the molecular formula of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate?
The molecular formula of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate is C15H9Br2ClN2O5.
What is the molecular weight of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate?
The molecular weight of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate is 489.86 g/mol.
Where can I buy 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate?
You can request a quote for 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-amino-3,5-dibromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.