![(S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate structure](/static/products/383/383391-86-4.png)
(S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate
TL;DR: (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate (CAS 383391-86-4) is a chemical compound with molecular formula C24H26F3N3O5 and molecular weight 493.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3,3-trifluoropropanoate
Also Known As: (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate, ethyl 2-[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]-3,3,3-trifluor o-2-(phenylcarbonylamino)propanoate, ethyl 2-benzamido-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3,3-trifluoropropanoate, Ethyl 2-benzamido-2-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-3,3,3-trifluoro-propanoate
| Molecular Formula | C24H26F3N3O5 |
|---|---|
| Molecular Weight | 493.18 g/mol |
| LogP | 2.7846 |
| Topological Polar Surface Area | 80.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.18246 |
| Heavy Atoms | 35 |
| Complexity | 1058.1154 |
Chemical Identifiers
| CAS Number | 383391-86-4 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
(S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate (CAS 383391-86-4), with molecular formula C24H26F3N3O5 and molecular weight 493.18 g/mol. IUPAC: ethyl 2-benzamido-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3,3-trifluoropropanoate.
Chemical Property Profile of (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate
Property Insights of (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate
The XLogP value of 2.7846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate. The TPSA of 80.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate has 1 hydrogen bond donor(s) and 7 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 (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate?
The CAS number of (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate is 383391-86-4.
What is the molecular formula of (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate?
The molecular formula of (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate is C24H26F3N3O5.
What is the molecular weight of (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate?
The molecular weight of (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate is 493.18 g/mol.
Where can I buy (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate?
You can request a quote for (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 2-benzamido-2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.