1,4-Dihydroxy-2-benzylanthraquinone
TL;DR: 1,4-Dihydroxy-2-benzylanthraquinone (CAS 21016-03-5) is a chemical compound with molecular formula C21H14O4 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1,4-dihydroxyanthracene-9,10-dione
Also Known As: Anthraquinone,4-dihydroxy-, 1,4-Dihydroxy-2-benzylanthraquinone, 2-Benzyl-1,4-dihydroxyanthraquinone, 2-benzyl-1,4-dihydroxyanthracene-9,10-dione, 9, 1,4-dihydroxy-2-(phenylmethyl)-
| Molecular Formula | C21H14O4 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.0892 |
| Heavy Atoms | 25 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 21016-03-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O |
| InChIKey | OFUVJHVCKUIANE-UHFFFAOYSA-N |
Product Overview
1,4-Dihydroxy-2-benzylanthraquinone (CAS 21016-03-5), with molecular formula C21H14O4 and molecular weight 330.09 g/mol. IUPAC: 2-benzyl-1,4-dihydroxyanthracene-9,10-dione.
Chemical Property Profile of 1,4-Dihydroxy-2-benzylanthraquinone
Property Insights of 1,4-Dihydroxy-2-benzylanthraquinone
The XLogP value of 5.2 indicates that 1,4-Dihydroxy-2-benzylanthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydroxy-2-benzylanthraquinone. Following Lipinski's Rule of Five, 1,4-Dihydroxy-2-benzylanthraquinone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Dihydroxy-2-benzylanthraquinone?
The CAS number of 1,4-Dihydroxy-2-benzylanthraquinone is 21016-03-5.
What is the molecular formula of 1,4-Dihydroxy-2-benzylanthraquinone?
The molecular formula of 1,4-Dihydroxy-2-benzylanthraquinone is C21H14O4.
What is the molecular weight of 1,4-Dihydroxy-2-benzylanthraquinone?
The molecular weight of 1,4-Dihydroxy-2-benzylanthraquinone is 330.09 g/mol.
Where can I buy 1,4-Dihydroxy-2-benzylanthraquinone?
You can request a quote for 1,4-Dihydroxy-2-benzylanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydroxy-2-benzylanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydroxy-2-benzylanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.