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Methyl 2-[(3-phenylbutanoyl)amino]benzoate
TL;DR: Methyl 2-[(3-phenylbutanoyl)amino]benzoate (CAS 432503-06-5) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-phenylbutanoylamino)benzoate
Also Known As: methyl 2-[(3-phenylbutanoyl)amino]benzoate, Methyl 2-(3-phenylbutanoylamino)benzoate, METHYL 2-(3-PHENYLBUTANAMIDO)BENZOATE, AB00119861-01
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 3.6055 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 652.39166 |
Chemical Identifiers
| CAS Number | 432503-06-5 |
|---|---|
| SMILES | CC(CC(=O)NC1=CC=CC=C1C(=O)OC)C2=CC=CC=C2 |
Product Overview
Methyl 2-[(3-phenylbutanoyl)amino]benzoate (CAS 432503-06-5), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: methyl 2-(3-phenylbutanoylamino)benzoate.
Chemical Property Profile of Methyl 2-[(3-phenylbutanoyl)amino]benzoate
Property Insights of Methyl 2-[(3-phenylbutanoyl)amino]benzoate
The XLogP value of 3.6055 indicates that Methyl 2-[(3-phenylbutanoyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-[(3-phenylbutanoyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(3-phenylbutanoyl)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-[(3-phenylbutanoyl)amino]benzoate?
The CAS number of Methyl 2-[(3-phenylbutanoyl)amino]benzoate is 432503-06-5.
What is the molecular formula of Methyl 2-[(3-phenylbutanoyl)amino]benzoate?
The molecular formula of Methyl 2-[(3-phenylbutanoyl)amino]benzoate is C18H19NO3.
What is the molecular weight of Methyl 2-[(3-phenylbutanoyl)amino]benzoate?
The molecular weight of Methyl 2-[(3-phenylbutanoyl)amino]benzoate is 297.14 g/mol.
Where can I buy Methyl 2-[(3-phenylbutanoyl)amino]benzoate?
You can request a quote for Methyl 2-[(3-phenylbutanoyl)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-[(3-phenylbutanoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(3-phenylbutanoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.