Danitracen
TL;DR: Danitracen (CAS 31232-26-5) is a chemical compound with molecular formula C20H21NO and molecular weight 291.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol
Also Known As: Danitracen, Danitracene, Danitracenum, Danitraceno, Danitracino
| Molecular Formula | C20H21NO |
|---|---|
| Molecular Weight | 291.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 291.16232 |
| Heavy Atoms | 22 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 31232-26-5 |
|---|---|
| SMILES | CN1CCC(=C2C3=CC=CC=C3C(C4=CC=CC=C42)O)CC1 |
| InChIKey | HLBRHTFSMMEHPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Danitracen (CAS 31232-26-5), with molecular formula C20H21NO and molecular weight 291.16 g/mol. IUPAC: 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol.
Chemical Property Profile of Danitracen
Property Insights of Danitracen
The XLogP value of 3.1 indicates that Danitracen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Danitracen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Danitracen has 1 hydrogen bond donor(s) and 2 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 Danitracen?
The CAS number of Danitracen is 31232-26-5.
What is the molecular formula of Danitracen?
The molecular formula of Danitracen is C20H21NO.
What is the molecular weight of Danitracen?
The molecular weight of Danitracen is 291.16 g/mol.
Where can I buy Danitracen?
You can request a quote for Danitracen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Danitracen?
Yes, KEHONG BIO provides custom synthesis services for Danitracen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.