1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride
TL;DR: 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride (CAS 56114-10-4) is a chemical compound with molecular formula C16H18ClNO4 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]benzene-1,2-diol;hydrochloride
Also Known As: Pyrocatechol, 4-(2-piperonylaminoethyl)-, hydrochloride, 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride, 3,4-Dihydroxybenzyl-3',4'-dihydroxy-beta-phenylethylamine hydrochloride, 4-(2-((1,3-Benzodioxol-5-ylmethyl)amino)ethyl)-1,2-benzenediol hydrochloride, 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]benzene-1,2-diol hydrochloride
| Molecular Formula | C16H18ClNO4 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 2.5806 |
| Topological Polar Surface Area | 70.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.09244 |
| Heavy Atoms | 22 |
| Complexity | 648.0381 |
Chemical Identifiers
| CAS Number | 56114-10-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNCCC3=CC(=C(C=C3)O)O.Cl |
Product Overview
1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride (CAS 56114-10-4), with molecular formula C16H18ClNO4 and molecular weight 323.09 g/mol. IUPAC: 4-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]benzene-1,2-diol;hydrochloride.
Chemical Property Profile of 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride
Property Insights of 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride
The XLogP value of 2.5806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride. The TPSA of 70.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride. Following Lipinski's Rule of Five, 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride 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 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride?
The CAS number of 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride is 56114-10-4.
What is the molecular formula of 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride?
The molecular formula of 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride is C16H18ClNO4.
What is the molecular weight of 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride?
The molecular weight of 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride is 323.09 g/mol.
Where can I buy 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride?
You can request a quote for 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.