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Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester
TL;DR: Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester (CAS 6309-32-6) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(ethylamino)-3-oxo-2-phenylpropanoate
Also Known As: methyl 3-(ethylamino)-3-oxo-2-phenylpropanoate, N-ethyl-2-phenyl-malonamic acid methyl ester, N-Aethyl-2-phenyl-malonamidsaeure-methylester, Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 6309-32-6 |
|---|---|
| SMILES | CCNC(=O)C(C1=CC=CC=C1)C(=O)OC |
| InChIKey | YTAPWLACGAQJDC-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester (CAS 6309-32-6), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: methyl 3-(ethylamino)-3-oxo-2-phenylpropanoate.
Chemical Property Profile of Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester
Property Insights of Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester. With a topological polar surface area (TPSA) of 55.4 Ų, Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester 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 Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester?
The CAS number of Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester is 6309-32-6.
What is the molecular formula of Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester?
The molecular formula of Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester is C12H15NO3.
What is the molecular weight of Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester?
The molecular weight of Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester is 221.11 g/mol.
Where can I buy Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester?
You can request a quote for Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, a-[(ethylamino)carbonyl]-, methylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.