1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-
TL;DR: 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)- (CAS 5424-68-0) is a chemical compound with molecular formula C16H28N2O2 and molecular weight 280.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(diethylaminomethyl)benzene-1,4-diol
Also Known As: 2,5-bis(diethylaminomethyl)benzene-1,4-diol, 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-, 2,5-Bis[(diethylamino)methyl]-1,4-benzenediol, 2,5-bis[(diethylamino)methyl]benzene-1,4-diol, 2,5-bis(diethylaminomethyl)hydroquinone
| Molecular Formula | C16H28N2O2 |
|---|---|
| Molecular Weight | 280.22 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.2151 |
| Heavy Atoms | 20 |
| Complexity | 229.0 |
| Solubility | >42.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 5424-68-0 |
|---|---|
| SMILES | CCN(CC)CC1=CC(=C(C=C1O)CN(CC)CC)O |
| InChIKey | NVTLOLOYAHYCBL-UHFFFAOYSA-N |
Product Overview
1,4-Benzenediol, 2,5-bis((diethylamino)methyl)- (CAS 5424-68-0), with molecular formula C16H28N2O2 and molecular weight 280.22 g/mol. IUPAC: 2,5-bis(diethylaminomethyl)benzene-1,4-diol.
Chemical Property Profile of 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-
Property Insights of 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-. With a topological polar surface area (TPSA) of 46.9 Ų, 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)- 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 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-?
The CAS number of 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)- is 5424-68-0.
What is the molecular formula of 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-?
The molecular formula of 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)- is C16H28N2O2.
What is the molecular weight of 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-?
The molecular weight of 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)- is 280.22 g/mol.
Where can I buy 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-?
You can request a quote for 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.