RefChem:327249
TL;DR: RefChem:327249 (CAS 85826-15-9) is a chemical compound with molecular formula C33H46N6O6 and molecular weight 622.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[[4-(diethylamino)-6-[4-[2-(diethylamino)ethoxycarbonyl]phenoxy]-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(2-(diethylamino)ethyl) ester, 2-diethylaminoethyl4-[[4-(diethylamino)-6-[4-(2-diethylaminoethyloxycarbonyl)phenoxy]-1,3,5-triazin-2-yl]oxy]benzoate, 2-diethylaminoethyl 4-[[4-(diethylamino)-6-[4-(2-diethylaminoethyloxycarbonyl)phenoxy]-1,3,5-triazin-2-yl]oxy]benzoate, BENZOIC ACID, 4,4'-((6-(DIETHYLAMINO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(OXY))BIS-, BIS, Bis[2-(diethylamino)ethyl] 4,4'-{[6-(diethylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dibenzoate
| Molecular Formula | C33H46N6O6 |
|---|---|
| Molecular Weight | 622.35 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 622.3479 |
| Heavy Atoms | 45 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 85826-15-9 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)N(CC)CC)OC3=CC=C(C=C3)C(=O)OCCN(CC)CC |
| InChIKey | BUNGKFGOHZMSPW-UHFFFAOYSA-N |
Product Overview
RefChem:327249 (CAS 85826-15-9), with molecular formula C33H46N6O6 and molecular weight 622.35 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[[4-(diethylamino)-6-[4-[2-(diethylamino)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoate.
Chemical Property Profile of RefChem:327249
Property Insights of RefChem:327249
The XLogP value of 6.1 indicates that RefChem:327249 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:327249. Following Lipinski's Rule of Five, RefChem:327249 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:327249?
The CAS number of RefChem:327249 is 85826-15-9.
What is the molecular formula of RefChem:327249?
The molecular formula of RefChem:327249 is C33H46N6O6.
What is the molecular weight of RefChem:327249?
The molecular weight of RefChem:327249 is 622.35 g/mol.
Where can I buy RefChem:327249?
You can request a quote for RefChem:327249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327249?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.