RefChem:327253
TL;DR: RefChem:327253 (CAS 85826-19-3) is a chemical compound with molecular formula C47H58N6O6 and molecular weight 802.44 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-[4-[4-(diethylamino)-3-methylbutan-2-yl]oxycarbonylphenoxy]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]oxy]benzoate
Also Known As: Benzoic acid, 4,4'-((6-(diphenylamino)-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-[4-[4-(diethylamino)-3-methylbutan-2-yl]oxycarbonylphenoxy]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]oxy]benzoate, [4-(diethylamino)-3-methylbutan-2-yl] 4-[[4-[4-[4-(diethylamino)-3-methylbutan-2-yl]oxycarbonylphenoxy]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]oxy]benzoate, BENZOIC ACID, 4,4'-((6-(DIPHENYLAMINO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(OXY))BIS-, BI, Bis[4-(diethylamino)-3-methylbutan-2-yl] 4,4'-{[6-(diphenylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dibenzoate
| Molecular Formula | C47H58N6O6 |
|---|---|
| Molecular Weight | 802.44 g/mol |
| LogP | 11.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Exact Mass | 802.4418 |
| Heavy Atoms | 59 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 85826-19-3 |
|---|---|
| SMILES | CCN(CC)CC(C)C(C)OC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)OC5=CC=C(C=C5)C(=O)OC(C)C(C)CN(CC)CC |
| InChIKey | QUKMWPNUFLDQKV-UHFFFAOYSA-N |
Product Overview
RefChem:327253 (CAS 85826-19-3), with molecular formula C47H58N6O6 and molecular weight 802.44 g/mol. IUPAC: [4-(diethylamino)-3-methylbutan-2-yl] 4-[[4-[4-[4-(diethylamino)-3-methylbutan-2-yl]oxycarbonylphenoxy]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]oxy]benzoate.
Chemical Property Profile of RefChem:327253
Property Insights of RefChem:327253
The XLogP value of 11.0 indicates that RefChem:327253 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:327253. Following Lipinski's Rule of Five, RefChem:327253 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:327253?
The CAS number of RefChem:327253 is 85826-19-3.
What is the molecular formula of RefChem:327253?
The molecular formula of RefChem:327253 is C47H58N6O6.
What is the molecular weight of RefChem:327253?
The molecular weight of RefChem:327253 is 802.44 g/mol.
Where can I buy RefChem:327253?
You can request a quote for RefChem:327253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327253?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.