RefChem:327251
TL;DR: RefChem:327251 (CAS 85826-16-0) is a chemical compound with molecular formula C39H58N6O6 and molecular weight 706.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(diethylamino)-3-methylbutan-2-yl] 4-[[4-(diethylamino)-6-[4-[4-(diethylamino)-3-methylbutan-2-yl]oxycarbonylphenoxy]-1,3,5-triazin-2-yl]oxy]benzoate
Also Known As: Benzoic acid, 4,4'-((6-(diethylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(3-(diethylamino)-1,2-dimethylpropyl) ester, [4-(Diethylamino)-3-methylbutan-2-yl]4-[[4-(diethylamino)-6-[4-[4-(diethylamino)-3-methylbutan-2-yl]oxycarbonylphenoxy]-1,3,5-triazin-2-yl]oxy]benzoate, [4-(diethylamino)-3-methylbutan-2-yl] 4-[[4-(diethylamino)-6-[4-[4-(diethylamino)-3-methylbutan-2-yl]oxycarbonylphenoxy]-1,3,5-triazin-2-yl]oxy]benzoate, bis[4-(diethylamino)-3-methylbutan-2-yl] 4,4'-{[6-(diethylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dibenzoate, RefChem:327251
| Molecular Formula | C39H58N6O6 |
|---|---|
| Molecular Weight | 706.44 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Exact Mass | 706.4418 |
| Heavy Atoms | 51 |
| Complexity | 911.0 |
Chemical Identifiers
| CAS Number | 85826-16-0 |
|---|---|
| SMILES | CCN(CC)CC(C)C(C)OC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)N(CC)CC)OC3=CC=C(C=C3)C(=O)OC(C)C(C)CN(CC)CC |
| InChIKey | RGKYTVAIVLCZPZ-UHFFFAOYSA-N |
Product Overview
RefChem:327251 (CAS 85826-16-0), with molecular formula C39H58N6O6 and molecular weight 706.44 g/mol. IUPAC: [4-(diethylamino)-3-methylbutan-2-yl] 4-[[4-(diethylamino)-6-[4-[4-(diethylamino)-3-methylbutan-2-yl]oxycarbonylphenoxy]-1,3,5-triazin-2-yl]oxy]benzoate.
Chemical Property Profile of RefChem:327251
Property Insights of RefChem:327251
The XLogP value of 8.6 indicates that RefChem:327251 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327251. Following Lipinski's Rule of Five, RefChem:327251 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327251?
The CAS number of RefChem:327251 is 85826-16-0.
What is the molecular formula of RefChem:327251?
The molecular formula of RefChem:327251 is C39H58N6O6.
What is the molecular weight of RefChem:327251?
The molecular weight of RefChem:327251 is 706.44 g/mol.
Where can I buy RefChem:327251?
You can request a quote for RefChem:327251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327251?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.