![1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane structure](/static/products/4986/4986-01-0.webp)
1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
TL;DR: 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane (CAS 4986-01-0) is a chemical compound with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
Also Known As: 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane, 1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane, 1-[benzo[1,3]dioxol-5-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
| Molecular Formula | C21H26N2O4 |
|---|---|
| Molecular Weight | 370.19 g/mol |
| LogP | 2.8172 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.18927 |
| Heavy Atoms | 27 |
| Complexity | 787.7462 |
Chemical Identifiers
| CAS Number | 4986-01-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4 |
Product Overview
1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane (CAS 4986-01-0), with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol. IUPAC: 1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane.
Chemical Property Profile of 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
Property Insights of 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
The XLogP value of 2.8172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane. With a topological polar surface area (TPSA) of 52.19 Ų, 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane 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 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane?
The CAS number of 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane is 4986-01-0.
What is the molecular formula of 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane?
The molecular formula of 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane is C21H26N2O4.
What is the molecular weight of 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane?
The molecular weight of 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane is 370.19 g/mol.
Where can I buy 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane?
You can request a quote for 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2H-1,3-Benzodioxol-5-yl)(2,3-dimethoxyphenyl)methyl]-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.