1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione
TL;DR: 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione (CAS 87367-07-5) is a chemical compound with molecular formula C21H23ClN2O4 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)propanamide;hydrochloride
Also Known As: 1-Dpha, 1-4-hydroxy-9,10-anthracenedione, 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione, 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione hydrochloride, 3-(diethylamino)-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)propanamide;hydrochloride
| Molecular Formula | C21H23ClN2O4 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 3.2598 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.13464 |
| Heavy Atoms | 28 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 87367-07-5 |
|---|---|
| SMILES | CCN(CC)CCC(=O)NC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O.Cl |
| InChIKey | XMLSSXNKAAVXDY-UHFFFAOYSA-N |
Product Overview
1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione (CAS 87367-07-5), with molecular formula C21H23ClN2O4 and molecular weight 402.13 g/mol. IUPAC: 3-(diethylamino)-N-(4-hydroxy-9,10-dioxoanthracen-1-yl)propanamide;hydrochloride.
Chemical Property Profile of 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione
Property Insights of 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione
The XLogP value of 3.2598 indicates that 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione. Following Lipinski's Rule of Five, 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione has 3 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 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione?
The CAS number of 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione is 87367-07-5.
What is the molecular formula of 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione?
The molecular formula of 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione is C21H23ClN2O4.
What is the molecular weight of 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione?
The molecular weight of 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione is 402.13 g/mol.
Where can I buy 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione?
You can request a quote for 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(omega-Diethylaminopropylamido)-4-hydroxy-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.