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1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
TL;DR: 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane (CAS 506409-22-9) is a chemical compound with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[phenyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
Also Known As: 1-[phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane, 1-(Phenyl(3,4,5-trimethoxyphenyl)methyl)-1,4-diazepane, 1-[phenyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 3.0971 |
| Topological Polar Surface Area | 42.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 672.6524 |
Chemical Identifiers
| CAS Number | 506409-22-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2)N3CCCNCC3 |
Product Overview
1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane (CAS 506409-22-9), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: 1-[phenyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane.
Chemical Property Profile of 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
Property Insights of 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
The XLogP value of 3.0971 indicates that 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.96 Ų, 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane has 1 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-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane?
The CAS number of 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane is 506409-22-9.
What is the molecular formula of 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane?
The molecular formula of 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane is C21H28N2O3.
What is the molecular weight of 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane?
The molecular weight of 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane is 356.21 g/mol.
Where can I buy 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane?
You can request a quote for 1-[Phenyl(3,4,5-trimethoxyphenyl)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-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[Phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.