Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate
TL;DR: Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate (CAS 431986-67-3) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1-anilino-1-oxopropan-2-yl)oxybenzoate
Also Known As: AB00119166-01, methyl 4-(1-anilino-1-oxopropan-2-yl)oxybenzoate, methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate, methyl 4-((1-oxo-1-(phenylamino)propan-2-yl)oxy)benzoate
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 2.8792 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 637.4683 |
Chemical Identifiers
| CAS Number | 431986-67-3 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=CC=C1)OC2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate (CAS 431986-67-3), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: methyl 4-(1-anilino-1-oxopropan-2-yl)oxybenzoate.
Chemical Property Profile of Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate
Property Insights of Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate
The XLogP value of 2.8792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)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 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate?
The CAS number of Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate is 431986-67-3.
What is the molecular formula of Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate?
The molecular formula of Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate is C17H17NO4.
What is the molecular weight of Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate?
The molecular weight of Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate is 299.12 g/mol.
Where can I buy Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate?
You can request a quote for Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-anilino-1-methyl-2-oxoethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.