Methyl (4-methoxyanilino)(phenyl)acetate
TL;DR: Methyl (4-methoxyanilino)(phenyl)acetate (CAS 125990-08-1) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methoxyanilino)-2-phenylacetate
Also Known As: Methyl (4-methoxyanilino)(phenyl)acetate, methyl 2-[(4-methoxyphenyl)amino]-2-phenylacetate, NCI60_004595, methyl 2-(4-methoxyanilino)-2-phenylacetate, methyl 2-(4-methoxyanilino)-2-phenyl-acetate
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 125990-08-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(C2=CC=CC=C2)C(=O)OC |
| InChIKey | NVDUMYUAVVROOP-UHFFFAOYSA-N |
Product Overview
Methyl (4-methoxyanilino)(phenyl)acetate (CAS 125990-08-1), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: methyl 2-(4-methoxyanilino)-2-phenylacetate.
Chemical Property Profile of Methyl (4-methoxyanilino)(phenyl)acetate
Property Insights of Methyl (4-methoxyanilino)(phenyl)acetate
The XLogP value of 3.5 indicates that Methyl (4-methoxyanilino)(phenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Methyl (4-methoxyanilino)(phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (4-methoxyanilino)(phenyl)acetate 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-methoxyanilino)(phenyl)acetate?
The CAS number of Methyl (4-methoxyanilino)(phenyl)acetate is 125990-08-1.
What is the molecular formula of Methyl (4-methoxyanilino)(phenyl)acetate?
The molecular formula of Methyl (4-methoxyanilino)(phenyl)acetate is C16H17NO3.
What is the molecular weight of Methyl (4-methoxyanilino)(phenyl)acetate?
The molecular weight of Methyl (4-methoxyanilino)(phenyl)acetate is 271.12 g/mol.
Where can I buy Methyl (4-methoxyanilino)(phenyl)acetate?
You can request a quote for Methyl (4-methoxyanilino)(phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-methoxyanilino)(phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-methoxyanilino)(phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.