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Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester
TL;DR: Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester (CAS 329930-48-5) 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.
[4-(2-phenylethylcarbamoyl)phenyl] acetate
Also Known As: 4-[(2-phenylethyl)carbamoyl]phenyl acetate, [4-(2-phenylethylcarbamoyl)phenyl] acetate, 4-(phenethylcarbamoyl)phenyl acetate, [4-(phenethylcarbamoyl)phenyl] acetate, 4-[N-(2-phenylethyl)carbamoyl]phenyl acetate
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 329930-48-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2 |
| InChIKey | DTEQKVYORJRXBL-UHFFFAOYSA-N |
Product Overview
Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester (CAS 329930-48-5), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: [4-(2-phenylethylcarbamoyl)phenyl] acetate.
Chemical Property Profile of Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester
Property Insights of Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester. With a topological polar surface area (TPSA) of 55.4 Ų, Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester 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 Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester?
The CAS number of Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester is 329930-48-5.
What is the molecular formula of Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester?
The molecular formula of Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester is C17H17NO3.
What is the molecular weight of Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester?
The molecular weight of Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester is 283.12 g/mol.
Where can I buy Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester?
You can request a quote for Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.