9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-
TL;DR: 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)- (CAS 56594-21-9) is a chemical compound with molecular formula C15H10ClNO3 and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-chloro-2-(hydroxymethyl)anthracene-9,10-dione
Also Known As: 1-Amino-4-chloro-2-(hydroxymethyl)anthraquinone, 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-, 1-Amino-4-chloro-2-(hydroxymethyl)-9,10-anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)anthracene-9,10-dione, 1-Amino-2-(hydroxymethyl)-4-chloro-9,10-anthracenedione
| Molecular Formula | C15H10ClNO3 |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.0349 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 56594-21-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)CO)Cl |
| InChIKey | KMSUFAYLLUHUPI-UHFFFAOYSA-N |
Product Overview
9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)- (CAS 56594-21-9), with molecular formula C15H10ClNO3 and molecular weight 287.03 g/mol. IUPAC: 1-amino-4-chloro-2-(hydroxymethyl)anthracene-9,10-dione.
Chemical Property Profile of 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-
Property Insights of 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)- has 2 hydrogen bond donor(s) and 4 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 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-?
The CAS number of 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)- is 56594-21-9.
What is the molecular formula of 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-?
The molecular formula of 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)- is C15H10ClNO3.
What is the molecular weight of 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-?
The molecular weight of 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)- is 287.03 g/mol.
Where can I buy 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-?
You can request a quote for 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.