2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione
TL;DR: 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione (CAS 2158-76-1) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione
Also Known As: thermoquinone, P-benzoquinone hydrolyzed mustard, 2-[bis(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione, Di(2'-hydroxyethyl)amino-1,4-benzoquinone, 2-(Bis(2-hydroxyethyl)amino)-1,4-benzoquinone
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 2158-76-1 |
|---|---|
| SMILES | C1=CC(=O)C(=CC1=O)N(CCO)CCO |
| InChIKey | GOZMLRNNKDCONO-UHFFFAOYSA-N |
Product Overview
2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione (CAS 2158-76-1), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione
Property Insights of 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione
The XLogP value of -1.0 indicates that 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione. Following Lipinski's Rule of Five, 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-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-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione?
The CAS number of 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione is 2158-76-1.
What is the molecular formula of 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione?
The molecular formula of 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione is C10H13NO4.
What is the molecular weight of 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione?
The molecular weight of 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione is 211.08 g/mol.
Where can I buy 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione?
You can request a quote for 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bis(2-hydroxyethyl)amino)-2,5-cyclohexadiene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.