Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester
TL;DR: Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester (CAS 1147-64-4) is a chemical compound with molecular formula C18H16O5 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-(2-methoxy-2-oxoethyl)benzoate
Also Known As: phenacyl 2-(2-methoxy-2-oxoethyl)benzoate, Phenacyl 2-(methoxycarbonylmethyl)benzoate, 2-oxo-2-phenylethyl 2-(2-methoxy-2-oxoethyl)benzoate, Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester, Benzeneacetic acid,2-[(2-oxo-2-phenylethoxy)carbonyl]-, methyl ester
| Molecular Formula | C18H16O5 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 312.09976 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 1147-64-4 |
|---|---|
| SMILES | COC(=O)CC1=CC=CC=C1C(=O)OCC(=O)C2=CC=CC=C2 |
| InChIKey | KQHVKAIFHQWFRI-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester (CAS 1147-64-4), with molecular formula C18H16O5 and molecular weight 312.10 g/mol. IUPAC: phenacyl 2-(2-methoxy-2-oxoethyl)benzoate.
Chemical Property Profile of Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester
Property Insights of Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester
The XLogP value of 3.0 indicates that Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester has 0 hydrogen bond donor(s) and 5 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 Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester?
The CAS number of Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester is 1147-64-4.
What is the molecular formula of Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester is C18H16O5.
What is the molecular weight of Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester is 312.10 g/mol.
Where can I buy Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2-((2-oxo-2-phenylethoxy)carbonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.