1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride
TL;DR: 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride (CAS 116795-81-4) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4H-1,3-benzodioxin-8-ylmethyl)-1H-imidazole;hydrochloride
Also Known As: 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride, 4-((4H-1,3-Benzodioxin-8-yl)methyl)-1H-imidazole hydrochloride, 4-(4H-1,3-Benzodioxin-8-ylmethyl)-1H-imidazole monohydrochloride, 5-(4H-1,3-benzodioxin-8-ylmethyl)-1H-imidazole hydrochloride, 5-(4H-1,3-benzodioxin-8-ylmethyl)-1H-imidazole,hydrochloride
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.2888 |
| Topological Polar Surface Area | 47.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 485.25577 |
Chemical Identifiers
| CAS Number | 116795-81-4 |
|---|---|
| SMILES | C1C2=C(C(=CC=C2)CC3=CN=CN3)OCO1.Cl |
Product Overview
1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride (CAS 116795-81-4), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: 5-(4H-1,3-benzodioxin-8-ylmethyl)-1H-imidazole;hydrochloride.
Chemical Property Profile of 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride
Property Insights of 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride
The XLogP value of 2.2888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride. With a topological polar surface area (TPSA) of 47.14 Ų, 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 3 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 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride?
The CAS number of 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride is 116795-81-4.
What is the molecular formula of 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride?
The molecular formula of 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride is C12H13ClN2O2.
What is the molecular weight of 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride?
The molecular weight of 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride is 252.07 g/mol.
Where can I buy 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride?
You can request a quote for 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.