Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate
TL;DR: Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate (CAS 333346-45-5) is a chemical compound with molecular formula C17H15ClN2O5 and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[(4-chloro-2-nitrobenzoyl)amino]benzoate
Also Known As: Propyl 4-({4-chloro-2-nitrobenzoyl}, propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate, BAS 00783327, propyl 4-[(4-chloro-2-nitrobenzoyl)amino]benzoate, 4-(4-Chloro-2-nitro-benzoylamino)-benzoic acid propyl ester
| Molecular Formula | C17H15ClN2O5 |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 4.0673 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.06696 |
| Heavy Atoms | 25 |
| Complexity | 805.18555 |
Chemical Identifiers
| CAS Number | 333346-45-5 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate (CAS 333346-45-5), with molecular formula C17H15ClN2O5 and molecular weight 362.07 g/mol. IUPAC: propyl 4-[(4-chloro-2-nitrobenzoyl)amino]benzoate.
Chemical Property Profile of Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate
Property Insights of Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate
The XLogP value of 4.0673 indicates that Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate. Following Lipinski's Rule of Five, Propyl 4-({4-chloro-2-nitrobenzoyl}amino)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 Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate?
The CAS number of Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate is 333346-45-5.
What is the molecular formula of Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate?
The molecular formula of Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate is C17H15ClN2O5.
What is the molecular weight of Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate?
The molecular weight of Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate is 362.07 g/mol.
Where can I buy Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate?
You can request a quote for Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-({4-chloro-2-nitrobenzoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.