RefChem:316113
TL;DR: RefChem:316113 (CAS 86746-12-5) is a chemical compound with molecular formula C26H30Cl8N2O6 and molecular weight 745.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[3-[2-(2,4,5-trichlorophenoxy)acetyl]oxypropyl]piperazin-1-yl]propyl 2-(2,4,5-trichlorophenoxy)acetate;dihydrochloride
Also Known As: Acetic acid, (2,4,5-trichlorophenoxy)-, 1,4-piperazinediyldi-3,1-propanediyl ester, dihydrochloride, (2,4,5-Trichlorophenoxy)acetic acid 1,4-piperazinediyldi-3,1-propanediyl ester 2HCl, 3-[4-[3-[2-(2,4,5-Trichlorophenoxy)acetyl]oxypropyl]piperazin-1-yl]propyl2-(2,4,5-trichlorophenoxy)acetate dihydrochloride, ACETIC ACID, (2,4,5-TRICHLOROPHENOXY)-, 1,4-PIPERAZINEDIYLDI-3,1-PROPANEDIYL EST, (Piperazine-1,4-diyl)di(propane-3,1-diyl) bis[(2,4,5-trichlorophenoxy)acetate]--hydrogen chloride (1/2)
| Molecular Formula | C26H30Cl8N2O6 |
|---|---|
| Molecular Weight | 745.96 g/mol |
| LogP | 7.39 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 749.9553 |
| Heavy Atoms | 42 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 86746-12-5 |
|---|---|
| SMILES | C1CN(CCN1CCCOC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)CCCOC(=O)COC3=CC(=C(C=C3Cl)Cl)Cl.Cl.Cl |
| InChIKey | PZIYRAJEJLJHAP-UHFFFAOYSA-N |
Product Overview
RefChem:316113 (CAS 86746-12-5), with molecular formula C26H30Cl8N2O6 and molecular weight 745.96 g/mol. IUPAC: 3-[4-[3-[2-(2,4,5-trichlorophenoxy)acetyl]oxypropyl]piperazin-1-yl]propyl 2-(2,4,5-trichlorophenoxy)acetate;dihydrochloride.
Chemical Property Profile of RefChem:316113
Property Insights of RefChem:316113
The XLogP value of 7.39 indicates that RefChem:316113 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:316113. Following Lipinski's Rule of Five, RefChem:316113 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:316113?
The CAS number of RefChem:316113 is 86746-12-5.
What is the molecular formula of RefChem:316113?
The molecular formula of RefChem:316113 is C26H30Cl8N2O6.
What is the molecular weight of RefChem:316113?
The molecular weight of RefChem:316113 is 745.96 g/mol.
Where can I buy RefChem:316113?
You can request a quote for RefChem:316113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.