RefChem:548652
TL;DR: RefChem:548652 (CAS 71701-33-2) is a chemical compound with molecular formula C37H40N2O3 and molecular weight 560.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(2,4,6-trimethylanilino)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]anthracene-9,10-dione
Also Known As: 9,10-Anthracenedione, 1-amino-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-4-[(2,4,6-trimethylphenyl)amino]-, 1-AMINO-2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]-4-[(2,4,6-TRIMETHYLPHENYL)AMINO]ANTHRAQUINONE, 1-amino-4-(2,4,6-trimethylanilino)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]anthracene-9,10-dione, 9,10-Anthracenedione, 1-amino-2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-4-((2,4,6-trimethylphenyl)amino)-, 1-Amino-4-(mesitylamino)-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)anthracene-9,10-dione
| Molecular Formula | C37H40N2O3 |
|---|---|
| Molecular Weight | 560.30 g/mol |
| LogP | 10.9 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 560.3039 |
| Heavy Atoms | 42 |
| Complexity | 951.0 |
Chemical Identifiers
| CAS Number | 71701-33-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC5=CC=C(C=C5)C(C)(C)CC(C)(C)C)C |
| InChIKey | RFROTQNVJNTBLU-UHFFFAOYSA-N |
Product Overview
RefChem:548652 (CAS 71701-33-2), with molecular formula C37H40N2O3 and molecular weight 560.30 g/mol. IUPAC: 1-amino-4-(2,4,6-trimethylanilino)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]anthracene-9,10-dione.
Chemical Property Profile of RefChem:548652
Property Insights of RefChem:548652
The XLogP value of 10.9 indicates that RefChem:548652 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:548652. Following Lipinski's Rule of Five, RefChem:548652 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:548652?
The CAS number of RefChem:548652 is 71701-33-2.
What is the molecular formula of RefChem:548652?
The molecular formula of RefChem:548652 is C37H40N2O3.
What is the molecular weight of RefChem:548652?
The molecular weight of RefChem:548652 is 560.30 g/mol.
Where can I buy RefChem:548652?
You can request a quote for RefChem:548652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:548652?
Yes, KEHONG BIO provides custom synthesis services for RefChem:548652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.