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Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate
TL;DR: Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate (CAS 425372-87-8) is a chemical compound with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate
Also Known As: butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate, BIM-0001078.P001, BUTYL 4-(5-CHLORO-2-NITROBENZAMIDO)BENZOATE, butyl 4-[(5-chloro-2-nitrophenyl)carbonylamino]benzoate, butyl 4-{[(5-chloro-2-nitrophenyl)carbonyl]amino}benzoate
| Molecular Formula | C18H17ClN2O5 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 4.4574 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.0826 |
| Heavy Atoms | 26 |
| Complexity | 820.83124 |
Chemical Identifiers
| CAS Number | 425372-87-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] |
Product Overview
Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate (CAS 425372-87-8), with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol. IUPAC: butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate.
Chemical Property Profile of Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate
Property Insights of Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate
The XLogP value of 4.4574 indicates that Butyl 4-[(5-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 Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate. Following Lipinski's Rule of Five, Butyl 4-[(5-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 Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate?
The CAS number of Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate is 425372-87-8.
What is the molecular formula of Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate?
The molecular formula of Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate is C18H17ClN2O5.
What is the molecular weight of Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate?
The molecular weight of Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate is 376.08 g/mol.
Where can I buy Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate?
You can request a quote for Butyl 4-[(5-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 Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[(5-chloro-2-nitrobenzoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.