RefChem:316119
TL;DR: RefChem:316119 (CAS 86746-11-4) is a chemical compound with molecular formula C30H44Cl2N2O6 and molecular weight 598.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[2-(2,4,6-trimethylphenoxy)acetyl]oxyethyl]piperazin-1-yl]ethyl 2-(2,4,6-trimethylphenoxy)acetate;dihydrochloride
Also Known As: Acetic acid, (2,4,6-trimethylphenoxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester, dihydrochloride, (2,4,6-Trimethylphenoxy)acetic acid 1,4-piperazinediyldi-2,1-ethanediyl ester dihydrochloride, 2-[4-[2-[2-(2,4,6-Trimethylphenoxy)acetyl]oxyethyl]piperazin-1-yl]ethyl2-(2,4,6-trimethylphenoxy)acetate dihydrochloride, (Piperazine-1,4-diyl)di(ethane-2,1-diyl) bis[(2,4,6-trimethylphenoxy)acetate]--hydrogen chloride (1/2), 2-[4-[2-[2-(2,4,6-trimethylphenoxy)acetyl]oxyethyl]piperazin-1-yl]ethyl 2-(2,4,6-trimethylphenoxy)acetate dihydrochloride
| Molecular Formula | C30H44Cl2N2O6 |
|---|---|
| Molecular Weight | 598.26 g/mol |
| LogP | 4.54 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 598.2576 |
| Heavy Atoms | 40 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 86746-11-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)OCC(=O)OCCN2CCN(CC2)CCOC(=O)COC3=C(C=C(C=C3C)C)C)C.Cl.Cl |
| InChIKey | HPEMGOSOZGNOKU-UHFFFAOYSA-N |
Product Overview
RefChem:316119 (CAS 86746-11-4), with molecular formula C30H44Cl2N2O6 and molecular weight 598.26 g/mol. IUPAC: 2-[4-[2-[2-(2,4,6-trimethylphenoxy)acetyl]oxyethyl]piperazin-1-yl]ethyl 2-(2,4,6-trimethylphenoxy)acetate;dihydrochloride.
Chemical Property Profile of RefChem:316119
Property Insights of RefChem:316119
The XLogP value of 4.54 indicates that RefChem:316119 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316119. Following Lipinski's Rule of Five, RefChem:316119 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:316119?
The CAS number of RefChem:316119 is 86746-11-4.
What is the molecular formula of RefChem:316119?
The molecular formula of RefChem:316119 is C30H44Cl2N2O6.
What is the molecular weight of RefChem:316119?
The molecular weight of RefChem:316119 is 598.26 g/mol.
Where can I buy RefChem:316119?
You can request a quote for RefChem:316119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316119?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.