1,5-Bis(butylamino)anthracene-9,10-dione
TL;DR: 1,5-Bis(butylamino)anthracene-9,10-dione (CAS 100693-82-1) is a chemical compound with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-bis(butylamino)anthracene-9,10-dione
Also Known As: 1,5-bis(butylamino)anthracene-9,10-dione, 1,5-Bis(butylamino)anthraquinone, 9,10-Anthracenedione, 1,5-bis(butylamino)-, 1,5-Bis(butylamino)-9,10-anthraquinone, J3.148.545B
| Molecular Formula | C22H26N2O2 |
|---|---|
| Molecular Weight | 350.20 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.19943 |
| Heavy Atoms | 26 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 100693-82-1 |
|---|---|
| SMILES | CCCCNC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)NCCCC |
| InChIKey | YIFQQKZGMOKOQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Bis(butylamino)anthracene-9,10-dione (CAS 100693-82-1), with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol. IUPAC: 1,5-bis(butylamino)anthracene-9,10-dione.
Chemical Property Profile of 1,5-Bis(butylamino)anthracene-9,10-dione
Property Insights of 1,5-Bis(butylamino)anthracene-9,10-dione
The XLogP value of 6.4 indicates that 1,5-Bis(butylamino)anthracene-9,10-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 1,5-Bis(butylamino)anthracene-9,10-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Bis(butylamino)anthracene-9,10-dione 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 1,5-Bis(butylamino)anthracene-9,10-dione?
The CAS number of 1,5-Bis(butylamino)anthracene-9,10-dione is 100693-82-1.
What is the molecular formula of 1,5-Bis(butylamino)anthracene-9,10-dione?
The molecular formula of 1,5-Bis(butylamino)anthracene-9,10-dione is C22H26N2O2.
What is the molecular weight of 1,5-Bis(butylamino)anthracene-9,10-dione?
The molecular weight of 1,5-Bis(butylamino)anthracene-9,10-dione is 350.20 g/mol.
Where can I buy 1,5-Bis(butylamino)anthracene-9,10-dione?
You can request a quote for 1,5-Bis(butylamino)anthracene-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 1,5-Bis(butylamino)anthracene-9,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Bis(butylamino)anthracene-9,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.