2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane
TL;DR: 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane (CAS 845866-74-2) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
Also Known As: 2-[(4-methoxyphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane, 2-(4-Methoxybenzyl)-2,5-diazabicyclo[2.2.1]heptane, 2-(4-METHOXYBENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE, 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane, 6-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[2.2.1]heptane
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 1.2413 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 362.7003 |
Chemical Identifiers
| CAS Number | 845866-74-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2CC3CC2CN3 |
Product Overview
2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane (CAS 845866-74-2), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: 2-[(4-methoxyphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
Chemical Property Profile of 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane
Property Insights of 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane
The XLogP value of 1.2413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane. With a topological polar surface area (TPSA) of 24.5 Ų, 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane 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 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane?
The CAS number of 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane is 845866-74-2.
What is the molecular formula of 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane?
The molecular formula of 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane is C13H18N2O.
What is the molecular weight of 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane?
The molecular weight of 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane is 218.14 g/mol.
Where can I buy 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane?
You can request a quote for 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methoxyphenyl)methyl)-2,5-diazabicyclo(2.2.1)heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.