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Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate
TL;DR: Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate (CAS 694522-54-8) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-3-[(2-phenylacetyl)amino]benzoate
Also Known As: methyl 2-methyl-3-[(phenylacetyl)amino]benzoate, methyl 2-methyl-3-[(2-phenylacetyl)amino]benzoate, METHYL 2-METHYL-3-(2-PHENYLACETAMIDO)BENZOATE
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 2.96282 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 650.3397 |
Chemical Identifiers
| CAS Number | 694522-54-8 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)CC2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate (CAS 694522-54-8), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: methyl 2-methyl-3-[(2-phenylacetyl)amino]benzoate.
Chemical Property Profile of Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate
Property Insights of Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate
The XLogP value of 2.96282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate has 1 hydrogen bond donor(s) and 3 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 2-methyl-3-[(phenylacetyl)amino]benzoate?
The CAS number of Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate is 694522-54-8.
What is the molecular formula of Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate?
The molecular formula of Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate is C17H17NO3.
What is the molecular weight of Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate?
The molecular weight of Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate is 283.12 g/mol.
Where can I buy Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate?
You can request a quote for Methyl 2-methyl-3-[(phenylacetyl)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 2-methyl-3-[(phenylacetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-3-[(phenylacetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.