(4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester
TL;DR: (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester (CAS 87427-94-9) is a chemical compound with molecular formula C12H12F3NO3 and molecular weight 275.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
Also Known As: (4-TRIFLUOROMETHYL-BENZOYLAMINO)-ACETIC ACID ETHYL ESTER, Ethyl (4-(trifluoromethyl)benzoyl)glycinate, ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate, Ethyl [4-(trifluoromethyl)benzoyl]glycinate, (4-Trifluoromethylbenzoylamino)acetic acid ethyl ester
| Molecular Formula | C12H12F3NO3 |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | 1.9983 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.07693 |
| Heavy Atoms | 19 |
| Complexity | 454.28256 |
Chemical Identifiers
| CAS Number | 87427-94-9 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C1=CC=C(C=C1)C(F)(F)F |
Product Overview
(4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester (CAS 87427-94-9), with molecular formula C12H12F3NO3 and molecular weight 275.08 g/mol. IUPAC: ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.
Chemical Property Profile of (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester
Property Insights of (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester
The XLogP value of 1.9983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl 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 (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester?
The CAS number of (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester is 87427-94-9.
What is the molecular formula of (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester?
The molecular formula of (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester is C12H12F3NO3.
What is the molecular weight of (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester?
The molecular weight of (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester is 275.08 g/mol.
Where can I buy (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester?
You can request a quote for (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4-Trifluoromethyl-benzoylamino)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.