2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione
TL;DR: 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione (CAS 110086-97-0) is a chemical compound with molecular formula C16H11ClO5 and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione
Also Known As: 2-(Chloromethyl)-1,4-dihydroxy-8-methoxy-9,10-anthracenedione, 2-(chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione
| Molecular Formula | C16H11ClO5 |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.0295 |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 110086-97-0 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C3=C(C(=CC(=C3C2=O)O)CCl)O |
| InChIKey | UPWHDQPVRBFQOZ-UHFFFAOYSA-N |
Product Overview
2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione (CAS 110086-97-0), with molecular formula C16H11ClO5 and molecular weight 318.03 g/mol. IUPAC: 2-(chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione.
Chemical Property Profile of 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione
Property Insights of 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione
The XLogP value of 3.6 indicates that 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione. Following Lipinski's Rule of Five, 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione has 2 hydrogen bond donor(s) and 5 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 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione?
The CAS number of 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione is 110086-97-0.
What is the molecular formula of 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione?
The molecular formula of 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione is C16H11ClO5.
What is the molecular weight of 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione?
The molecular weight of 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione is 318.03 g/mol.
Where can I buy 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione?
You can request a quote for 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.