5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride
TL;DR: 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride (CAS 83449-13-2) is a chemical compound with molecular formula C18H18ClNO5 and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethanone;hydrochloride
Also Known As: 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride, Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)amino)-, hydrochloride, 5-[2-{(1,4-benzodioxan-2-ylmethyl)amino}acetyl]-1,3-benzodioxole hydrochloride, 1-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethanone hydrochloride, 1-(2H-1,3-Benzodioxol-5-yl)-2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}ethan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C18H18ClNO5 |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 2.4494 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.08734 |
| Heavy Atoms | 25 |
| Complexity | 766.8817 |
Chemical Identifiers
| CAS Number | 83449-13-2 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CNCC(=O)C3=CC4=C(C=C3)OCO4.Cl |
Product Overview
5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride (CAS 83449-13-2), with molecular formula C18H18ClNO5 and molecular weight 363.09 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethanone;hydrochloride.
Chemical Property Profile of 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride
Property Insights of 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride
The XLogP value of 2.4494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride. The TPSA of 66.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride. Following Lipinski's Rule of Five, 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride has 1 hydrogen bond donor(s) and 6 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 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride?
The CAS number of 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride is 83449-13-2.
What is the molecular formula of 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride?
The molecular formula of 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride is C18H18ClNO5.
What is the molecular weight of 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride?
The molecular weight of 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride is 363.09 g/mol.
Where can I buy 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride?
You can request a quote for 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-((1,4-Benzodioxan-2-ylmethyl)amino)acetyl)-1,3-benzodioxole hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.