Bi-lawsone analog, 3a
TL;DR: Bi-lawsone analog, 3a (CAS 106974-22-5) is a chemical compound with molecular formula C27H16O6 and molecular weight 436.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-[(1-hydroxy-3,4-dioxonaphthalen-2-yl)-phenylmethyl]naphthalene-1,2-dione
Also Known As: Bi-lawsone analog, 3a, 3,3'-(phenylmethanediyl)bis(4-hydroxynaphthalene-1,2-dione), 3,3'-(phenylmethylene)bis(2-hydroxynaphthalene-1,4-dione), 1,4-Naphthalenedione, 2,2'-(phenylmethylene)bis[3-hydroxy-, 2,2 -Benzylidenebis(3-hydroxy-1,4-naphthoquinone)
| Molecular Formula | C27H16O6 |
|---|---|
| Molecular Weight | 436.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.0947 |
| Heavy Atoms | 33 |
| Complexity | 882.0 |
Chemical Identifiers
| CAS Number | 106974-22-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C(=O)C2=O)O)C4=C(C5=CC=CC=C5C(=O)C4=O)O |
| InChIKey | SADTWONCFKJBPO-UHFFFAOYSA-N |
Product Overview
Bi-lawsone analog, 3a (CAS 106974-22-5), with molecular formula C27H16O6 and molecular weight 436.09 g/mol. IUPAC: 4-hydroxy-3-[(1-hydroxy-3,4-dioxonaphthalen-2-yl)-phenylmethyl]naphthalene-1,2-dione.
Chemical Property Profile of Bi-lawsone analog, 3a
Property Insights of Bi-lawsone analog, 3a
The XLogP value of 3.2 indicates that Bi-lawsone analog, 3a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bi-lawsone analog, 3a. Following Lipinski's Rule of Five, Bi-lawsone analog, 3a has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bi-lawsone analog, 3a?
The CAS number of Bi-lawsone analog, 3a is 106974-22-5.
What is the molecular formula of Bi-lawsone analog, 3a?
The molecular formula of Bi-lawsone analog, 3a is C27H16O6.
What is the molecular weight of Bi-lawsone analog, 3a?
The molecular weight of Bi-lawsone analog, 3a is 436.09 g/mol.
Where can I buy Bi-lawsone analog, 3a?
You can request a quote for Bi-lawsone analog, 3a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bi-lawsone analog, 3a?
Yes, KEHONG BIO provides custom synthesis services for Bi-lawsone analog, 3a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.