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Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate
TL;DR: Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate (CAS 303992-09-8) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoate
Also Known As: Cholesterol pelargonate, methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate, methyl 4-{[(3,5-dimethylphenoxy)acetyl]amino}benzoate, methyl 4-(2-(3,5-dimethylphenoxy)acetamido)benzoate, methyl 4-[2-(3,5-dimethylphenoxy)acetylamino]benzoate
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 303992-09-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)C |
| InChIKey | BUYQHOOALVWYHN-UHFFFAOYSA-N |
Product Overview
Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate (CAS 303992-09-8), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: methyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate
Property Insights of Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate
The XLogP value of 3.4 indicates that Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate. Following Lipinski's Rule of Five, Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]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-(3,5-dimethylphenoxy)acetamido]benzoate?
The CAS number of Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate is 303992-09-8.
What is the molecular formula of Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate?
The molecular formula of Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate is C18H19NO4.
What is the molecular weight of Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate?
The molecular weight of Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate is 313.13 g/mol.
Where can I buy Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate?
You can request a quote for Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]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-(3,5-dimethylphenoxy)acetamido]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-(3,5-dimethylphenoxy)acetamido]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.