RefChem:327250
TL;DR: RefChem:327250 (CAS 85826-14-8) is a chemical compound with molecular formula C29H38N6O6 and molecular weight 566.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 4-[[4-(diethylamino)-6-[4-[2-(dimethylamino)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-(dimethylamino)ethyl) ester, 2-dimethylaminoethyl4-[[4-(diethylamino)-6-[4-(2-dimethylaminoethyloxycarbonyl)phenoxy]-1,3,5-triazin-2-yl]oxy]benzoate, 2-(dimethylamino)ethyl 4-[[4-(diethylamino)-6-[4-[2-(dimethylamino)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoate, 2-dimethylaminoethyl 4-[[4-(diethylamino)-6-[4-(2-dimethylaminoethyloxycarbonyl)phenoxy]-1,3,5-triazin-2-yl]oxy]benzoate, 2-dimethylaminoethyl 4-[[4-diethylamino-6-[4-(2-dimethylaminoethoxycarbonyl)phenoxy]-1,3,5-triazin-2-yl]oxy]benzoate
| Molecular Formula | C29H38N6O6 |
|---|---|
| Molecular Weight | 566.29 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 566.2853 |
| Heavy Atoms | 41 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 85826-14-8 |
|---|---|
| SMILES | CCN(CC)C1=NC(=NC(=N1)OC2=CC=C(C=C2)C(=O)OCCN(C)C)OC3=CC=C(C=C3)C(=O)OCCN(C)C |
| InChIKey | SHQSVQZAJMRLRX-UHFFFAOYSA-N |
Product Overview
RefChem:327250 (CAS 85826-14-8), with molecular formula C29H38N6O6 and molecular weight 566.29 g/mol. IUPAC: 2-(dimethylamino)ethyl 4-[[4-(diethylamino)-6-[4-[2-(dimethylamino)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoate.
Chemical Property Profile of RefChem:327250
Property Insights of RefChem:327250
The XLogP value of 4.7 indicates that RefChem:327250 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:327250. Following Lipinski's Rule of Five, RefChem:327250 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:327250?
The CAS number of RefChem:327250 is 85826-14-8.
What is the molecular formula of RefChem:327250?
The molecular formula of RefChem:327250 is C29H38N6O6.
What is the molecular weight of RefChem:327250?
The molecular weight of RefChem:327250 is 566.29 g/mol.
Where can I buy RefChem:327250?
You can request a quote for RefChem:327250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327250?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.