RefChem:238579
TL;DR: RefChem:238579 (CAS 77134-85-1) is a chemical compound with molecular formula C27H34ClF3N2O2 and molecular weight 510.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)propanoate;hydrochloride
Also Known As: 2-Methyl-2-(ethylindan-5-yl)acetic acid (m-trifluoromethylphenyl)piperazinoethyl ester HCl, 1H-Indene-5-acetic acid, 2,3-dihydro-2-ethyl-alpha-methyl-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, hydrochloride, 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)propanoate hydrochloride, 2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)propanoate--hydrogen chloride (1/1), RefChem:238579
| Molecular Formula | C27H34ClF3N2O2 |
|---|---|
| Molecular Weight | 510.23 g/mol |
| LogP | 5.7209 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.2261 |
| Heavy Atoms | 35 |
| Complexity | 1006.16113 |
Chemical Identifiers
| CAS Number | 77134-85-1 |
|---|---|
| SMILES | CCC1CC2=C(C1)C=C(C=C2)C(C)C(=O)OCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F.Cl |
Product Overview
RefChem:238579 (CAS 77134-85-1), with molecular formula C27H34ClF3N2O2 and molecular weight 510.23 g/mol. IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-(2-ethyl-2,3-dihydro-1H-inden-5-yl)propanoate;hydrochloride.
Chemical Property Profile of RefChem:238579
Property Insights of RefChem:238579
The XLogP value of 5.7209 indicates that RefChem:238579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, RefChem:238579 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:238579 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:238579?
The CAS number of RefChem:238579 is 77134-85-1.
What is the molecular formula of RefChem:238579?
The molecular formula of RefChem:238579 is C27H34ClF3N2O2.
What is the molecular weight of RefChem:238579?
The molecular weight of RefChem:238579 is 510.23 g/mol.
Where can I buy RefChem:238579?
You can request a quote for RefChem:238579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:238579?
Yes, KEHONG BIO provides custom synthesis services for RefChem:238579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.