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Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate
TL;DR: Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate (CAS 438225-13-9) is a chemical compound with molecular formula C16H13F2NO4 and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
Also Known As: methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate, methyl 3-(4-(difluoromethoxy)benzamido)benzoate, methyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate, methyl 3-({[4-(difluoromethoxy)phenyl]carbonyl}amino)benzoate
| Molecular Formula | C16H13F2NO4 |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 3.3269 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.08127 |
| Heavy Atoms | 23 |
| Complexity | 701.4813 |
Chemical Identifiers
| CAS Number | 438225-13-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)OC(F)F |
Product Overview
Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate (CAS 438225-13-9), with molecular formula C16H13F2NO4 and molecular weight 321.08 g/mol. IUPAC: methyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate.
Chemical Property Profile of Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate
Property Insights of Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate
The XLogP value of 3.3269 indicates that Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate has 1 hydrogen bond donor(s) and 4 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 Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate?
The CAS number of Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate is 438225-13-9.
What is the molecular formula of Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate?
The molecular formula of Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate is C16H13F2NO4.
What is the molecular weight of Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate?
The molecular weight of Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate is 321.08 g/mol.
Where can I buy Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate?
You can request a quote for Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[4-(difluoromethoxy)benzoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.